Anti-infectives are drugs that can either kill an infectious agent or inhibit it from spreading. Anti-infectives include antibiotics and antibacterials, antifungals, antivirals and antiprotozoals.

Antibiotics specifically treat infections caused by bacteria, most commonly used types of antibiotics are: Aminoglycosides, Penicillins, Fluoroquinolones, Cephalosporins, Macrolides, and Tetracyclines. New other approaches such as photodynamic therapy (PDT) and antibacterial peptides have been considered as alternatives to kill bacteria.

The high rates of morbidity and mortality caused by fungal infections are associated with the current limited antifungal arsenal and the high toxicity of the compounds. The most common antifungal targets include fungal RNA synthesis and cell wall and membrane components, though new antifungal targets are being investigated.

Viral infections occur when viruses enter cells in the body and begin reproducing, often causing illness. Viruses are classified as DNA viruses or RNA viruses, RNA viruses include retroviruses, such as HIV, are prone to mutate. The currently available antiviral drugs target 4 main groups of viruses: herpes, hepatitis, HIV and influenza viruses. Drug resistance in the clinical utility of antiviral drugs has raised an urgent need for developing new antiviral drugs.

Antiprotozoal drugs are medicines that treat infections caused by protozoa. Of which, malaria remains a major world health problem following the emergence and spread of Plasmodium falciparum that is resistant to the majority of antimalarial drugs. At present, antimalarial discovery approaches have been studied, such as the discovery of antimalarials from natural sources, chemical modifications of existing antimalarials, the development of hybrid compounds, testing of commercially available drugs that have been approved for human use for other diseases and molecular modelling using virtual screening technology and docking.

References:
[1] Scorzoni L, et al. Front Microbiol. 2017 Jan 23;8:36.
[2] Dehghan Esmatabadi MJ, et al. Cell Mol Biol (Noisy-le-grand). 2017 Feb 28;63(2):40-48.
[3] Raymund R, et al. Mayo Clin Proc. 2011 Oct; 86(10):1009-1026.
[4] Aguiar AC, et al. Mem Inst Oswaldo Cruz. 2012 Nov;107(7):831-45.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
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ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
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Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
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Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
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Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
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L-739594

L-739594 is a HIV-1 protease inhibitor, with an IC50 of 1.8 nM[1].

  • CAS Number: 156879-13-9
  • MF: C31H47N3O6
  • MW: 557.72100
  • Catalog: HIV
  • Density: 1.21g/cm3
  • Boiling Point: 761.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 414.5ºC

CTZ

Ceftezole (CTZ) is a broad-spectrum cephem antibiotic against many species of gram-positive and gram-negative bacteria. Ceftezole (CTZ) is an alpha-glucosidase inhibitor with in vivo anti-diabetic activity[1][2].

  • CAS Number: 26973-24-0
  • MF: C13H12N8O4S3
  • MW: 440.481
  • Catalog: Bacterial
  • Density: 2.1±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 155ºC (dec.)
  • Flash Point: N/A

Dodecyl octaethylene glycol ether

Octaethylene glycol monododecyl ether (C12E8) is an non-ionic detergent that can be used for membrane protein extraction. Octaethylene glycol monododecyl ether can solubilize the viral membrane of intact influenza virus[1][2].

  • CAS Number: 3055-98-9
  • MF: C28H58O9
  • MW: 538.755
  • Catalog: Influenza Virus
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 585.5±45.0 °C at 760 mmHg
  • Melting Point: 30ºC
  • Flash Point: 307.9±28.7 °C

Antiviral agent 25

Antiviral agent 25 (compound 6g) is a new non-peptide analog covalent inhibitor of SARS-CoV-2 3CLpro. Antiviral agent 25 has a strong inhibitory effect on SARS-CoV-2 3CLpro and SARS-CoV-2 PLpro with IC50 values of 0.118 µM, 0.448 µM, respectively. Antiviral agent 25 has antiviral effect on SARS-CoV-2 with an EC50 value of 7.249 µM[1].

  • CAS Number: 2761367-25-1
  • MF: C15H12FN3S
  • MW: 285.34
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Methyl-2-(8E)-8-tridecenyl-4(1H)-quinolinone

1-Methyl-2-(8E)-8-tridecenyl-4(1H)-quinolinone is a potent antibacterial agent with an MIC50 value of 22 µM and an MIC90 value of 50 µM for Helicobacter pyloriStrain 51. 1-Methyl-2-(8E)-8-tridecenyl-4(1H)-quinolinone has the potential for the research of gastric and duodenal ulcers[1].

  • CAS Number: 98393-27-2
  • MF: C23H33NO
  • MW: 339.51
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

polyphemusin I

Polyphemusin I is a natural antimicrobial peptide with excellent antimicrobial activity against Gram-negative and Gram-positive bacteria. Polyphemusin I contains 18 amino acids and is stabilized into an amphiphilic, antiparallel β-hairpin by two disulfide bridges[1].

  • CAS Number: 125139-67-5
  • MF: C108H161N39O20S4
  • MW: 2453.94
  • Catalog: Bacterial
  • Density: 1.54±0.1 g/cm3(Predicted)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TH-Z145

TH-Z145, a lipophilic bisphosphonate, is a FPPS inhibitor (IC50: 210 nM)[1].

  • CAS Number: 2260887-57-6
  • MF: C16H28O7P2
  • MW: 394.34
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fluconazole hydrate

Fluconazole (hydrate) is a triazole antifungal drug used in the treatment and prevention of superficial and systemic fungal infections.Target: AntifungalFluconazole (hydrate) is the hydrate salt form of fluconazole, which is a triazole antifungal intended for oral treatment of superficial and systemic mycoses. In tests done in standard mycological media, the compound had minimal inhibitory concentrations against pathogenic Candida species that were usually in excess of 100 mg/l. Fluconazole inhibited branching and hyphal development in C. albicans at concentrations as low as 10(-6) M (0.3 mg/l), but miconazole and ketoconazole were still active in these tests at concentrations 100 times lower than this [1]. Oral fluconazole was not associated with a significantly increased risk of birth defects overall or of 14 of the 15 specific birth defects of previous concern. Fluconazole exposure may confer an increased risk of tetralogy of Fallot [2]. Fluconazole is predicted to be ineffective against Cryptococcus gattii in the koala as a sole therapeutic agent administered at 10 mg/kg p.o. every 12 h [3].Clinical indications: Balanitis; Candida infection; Cryptococcus infection; Cryptococcus neoformans meningitis; Dermatomycosis; Female genital tract infection; Fungal infection; Fungal respiratory tract infection; Fungal urinary tract infection; Prophylaxis; Tinea capitis; Tinea corporis; Tinea cruris; Tinea pedis .Toxicity: Symptoms of overdose include hallucinations and paranoid behavior.

  • CAS Number: 155347-36-7
  • MF: C13H14F2N6O2
  • MW: 324.286
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antitubercular agent-14

Antitubercular agent-14 (Compound 1) is an antitubercular agent with an MIC of 0.3 µg/mL against M. tuberculosis[1].

  • CAS Number: 2408627-49-4
  • MF: C20H27ClN2
  • MW: 330.89
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Omodenbamab

Omodenbamab is an anti-SpA (Staphylococcal protein A) humanized monoclonal antibody with a KD value of 0.0467 nM. Omodenbamab circumvents a key S. aureus evasion mechanism by targeting the cell wall moiety Protein A (SpA). Omodenbamab can be used in research of S. aureus bloodstream infection[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BMS-707035

BMS-707035 is an HIV-1 integrase (IN) inhibitor with an IC50 value of 15 nM. IC50 Value: 15 nMTarget: HIV IntegraseBMS-707035 was scheduled to be evaluated in a Phase II study to assess the antiretroviral activity, safety, pharmacodynamics, and pharmacokinetics in 50 HIV-infected subjects using a 10-day randomized, double-blind, placebo-controlled, ascending multiple-dose study design.

  • CAS Number: 729607-74-3
  • MF: C17H19FN4O5S
  • MW: 410.420
  • Catalog: HIV
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SARS-CoV-2-IN-17

SARS-CoV-2-IN-17 (Compound 16) is a potent SARS-CoV-2 nucleocapsid protein (NPro) inhibitor. SARS-CoV-2-IN-17 exhibits potent anti-viral activity with the EC50 of 2.18 μM. SARS-CoV-2-IN-17 binds to NPro with the low KD value of 7.82 μM, suggesting that SARS-CoV-2-IN-17 is a potent NPro ligand[1].

  • CAS Number: 2761911-44-6
  • MF: C19H19F3N2O3
  • MW: 380.36
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Loracarbef-d5

Loracarbef-d5 is the deuterium labeled Loracarbef. Loracarbef, a cephalosporin antibiotic, is an orally active second-generation synthetic beta-lactam antibiotic of the carbacephem class[1][2].

  • CAS Number: 1346597-29-2
  • MF: C16H11D5ClN3O4
  • MW: 354.80
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-(Cyclohexanecarboxamido)acetic acid

Hexahydrohippuric acid is a metabolite of Shikimate acid in both liver and kidney, under microbial metabolism effect. Hexahydrohippuric acid is made of cyclohexane carboxylic acid and glycinamide, and shows antibacterial activity[1][2].

  • CAS Number: 32377-88-1
  • MF: C9H15NO3
  • MW: 185.22000
  • Catalog: Bacterial
  • Density: 1.174g/cm3
  • Boiling Point: 434.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 216.6ºC

1,4-Dihydro-4-oxoquinoline-2-carboxylic acid

Transtorine is a quinoline alkaloid, found from Ephedra transitoria, with antibacterial activity[1].

  • CAS Number: 13593-94-7
  • MF: C10H7NO3
  • MW: 189.16700
  • Catalog: Bacterial
  • Density: 1.429g/cm3
  • Boiling Point: 358.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 170.5ºC

Allicin

Allicin (diallyl thiosulfinate), a highly potent natural antimicrobial activity substance, inhibits growth of a variety of microorganisms, among them antibiotic-resistant strains[1].

  • CAS Number: 539-86-6
  • MF: C6H10OS2
  • MW: 162.27
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 248.6±43.0 °C at 760 mmHg
  • Melting Point: 25°C
  • Flash Point: 104.2±28.2 °C

D77

D77 is anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75. D77 inhibits HIV-1(IIIB) replication by EC50 value of 23.8 μg/ml in MT-4 cell (5.03 μg/ml for C8166 cells).IC50 value: 23.8 μg/ml (EC50, in MT-4 cell ), 5.03 μg/ml (EC50, in C8166 cell)Target: HIV-1in vitro: D77 exhibits a highly specific binding affinity to HIV-1 integrase catalytic core domain.D77 induces a dramatic concentration-dependent decrease of α-galactosidase activity compared to the D77-untreated cells. D77 reveals a significant inhibition activity against the interaction of IN with IBD.

  • CAS Number: 497836-10-9
  • MF: C28H22BrNO7S
  • MW: 596.45
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diamthazole hydrochloride

Diamthazole (Dimazole) hydrochloride is an antifungal agent. Diamthazole hydrochloride can be used for the research of infection[1].

  • CAS Number: 17140-69-1
  • MF: C15H24ClN3OS
  • MW: 329.89
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Picromycin

Pikromycin is a macrolide antibiotic that has been found in S. venezuelae and active against E. coli, S. aureus and B. subtilis[1].

  • CAS Number: 19721-56-3
  • MF: C28H47NO8
  • MW: 525.67
  • Catalog: Bacterial
  • Density: 1.14g/cm3
  • Boiling Point: 688.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 369.9ºC

Macrocarpal D

Macrocarpal D is a potent antibacterial agent. Macrocarpal D is a phloroglucinol dialdehyde diterpene derivatives that can be found in the leaves of Eucalyptus macrocarpa[1].

  • CAS Number: 142647-71-0
  • MF: C28H40O6
  • MW: 472.614
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 553.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 302.5±26.6 °C

Nevadensin

Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1 (hCE1) with an IC50 of 2.64 μM. Nevadensin has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive[1][2].

  • CAS Number: 10176-66-6
  • MF: C18H16O7
  • MW: 344.31500
  • Catalog: Bacterial
  • Density: 1.387g/cm3
  • Boiling Point: 615ºC at 760 mmHg
  • Melting Point: 199-200℃ (chloroform methanol )
  • Flash Point: 227ºC

Sutezolid

Sutezolid (PNU-100480) is an oxazolidinone antimicrobial being developed for the treatment of tuberculosis.Target: AntibacterialSutezolid is a much-awaited drug candidate for treatment of Mycobacterium tuberculosis. [1] Sutezolid is an oxazolidinone antibiotic currently in development as a treatment forextensively drug-resistant tuberculosis. Sutezolid is a linezolid analog with superior bactericidal activity against Mycobacterium tuberculosis in the hollow fiber, whole blood and mouse models. Like linezolid, it is unaffected by mutations conferring resistance to standard TB drugs. This study of sutezolid is its first in tuberculosis patients.[2]

  • CAS Number: 168828-58-8
  • MF: C16H20FN3O3S
  • MW: 353.41200
  • Catalog: Bacterial
  • Density: 1.321g/cm3
  • Boiling Point: 609ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 322.1ºC

STC314

STC314 is a small polyanion that interact electrostatically with histones. STC314 blocks disruption of lipid-bilayers by histones that inhibits the cytotoxic, platelet-activating and erythrocyte-damaging effects of histones. STC314 has anti-infective effects and can be uesd for sepsis research[1].

  • CAS Number: 186295-19-2
  • MF: C13H17Na7O32S7
  • MW: 1070.64
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HCV-IN-41

HCV-IN-41 (compound 4) is a highly potent hepatitis C virus (HCV) inhibitor with an EC50 value of 0.006762 nM, 5.183 nM, 1.365 nM and 142.2 nM for HCV genotype 1b, 2a, 3a and 4a, respectively. HCV-IN-41 reduces HCV RNA replication[1].

  • CAS Number: 2468169-71-1
  • MF: C48H56N6O8
  • MW: 844.99
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gliovirin

Gliovirin is an antibiotic active against Pythium ultimum. Gliovirin is isolated from Gliocla-dium virens. Gliovirin may be derived from L,L-phenylalanine anhydride, which is also isolated from G. virens[1].

  • CAS Number: 83912-90-7
  • MF: C20H20N2O8S2
  • MW: 480.51100
  • Catalog: Fungal
  • Density: 1.74g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sertaconazole nitrate

Sertaconazole nitrate is a topical broad-spectrum antifungal that is developed to provide an additional agent for the treatment of superficial cutaneous and mucosal infections.Target: AntifungalSertaconazole nitrate reduces the release of cytokines from activated lymphocytes and mitigated inflammation in animal models of irritant contact dermatitis and neurogenic inflammation in a dose-dependent fashion. Sertaconazole nitrate is found to inhibit the proliferation of stimulated human lymphocytes with IC50 of 4 μg/mL [1]. Sertaconazole nitrate inhibits ergosterol synthesis by blockade of the P450-dependent enzyme pathway that catalyzes the methylation of lanosterol to ergosterol, thus inhibits fungal cell growth. Sertaconazole nitrate binds directly to nonsterol lipids in the membrane, which interferes with the regulation of the permeability of fungal cell membranes, thus induces fungal cell death [2].The mean ear weight of Tetradecanoyl phorbol acetate (TPA)-challenged murine treated with sertaconazole nitrate (1%) is 7.23 mg compared with 14.7 mg for controls, indicating a statistically significant reduction in irritant dermatitis. Sertaconazole nitrate 1% elicits a significant reduction in Resiniferatoxin-induced ear edema when compared with controls in CD-1 mice. Topical treatment with sertaconazole nitrate 1% significantly inhibits contact hypersensitivity and decreases the content of the pro-inflammatory cytokines TNFα, IL-2, and IFNγ in oxazolone exposed murine skin [1]. Clinical trials with sertaconazole nitrate cream 2% show efficacy in the treatment of superficial cutaneous fungal infections [2]. Sertaconazole reduces inflammation via inducing PGE2 production and the COX-2 inhibitor blocks sertaconazole from exerting its anti-inflammatory effects in a mouse model of TPA-induced ear edema [3].

  • CAS Number: 99592-39-9
  • MF: C20H16Cl3N3O4S
  • MW: 500.783
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: 614.1ºC at 760mmHg
  • Melting Point: 158-160°
  • Flash Point: 325.2ºC

BM635

BM635 is a MmpL3 inhibitor with outstanding anti-mycobacterial activity. BM635 has an MIC50 of 0.12 μM against M. tuberculosis H37Rv.

  • CAS Number: 1493762-74-5
  • MF: C25H29FN2O
  • MW: 392.51
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Transketolase-IN-4

Transketolase-IN-4 is a potent transketolase inhibitor (IC50=3.9 μM). Transketolase-IN-4 inhibits tumor cell proliferation of SW620, LS174T, and MIA PaCa-2. Transketolase-IN-4 is a possible Mycobacterium tuberculosis DXS inhibitor, with an IC50 value of 114.1 μM[1][2].

  • CAS Number: 419547-73-2
  • MF: C19H14ClN3O
  • MW: 335.78700
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Beludavimab

Beludavimab (BMS 4182137; VIR 7832) is a monoclonal antibody targeting the spike glycoprotein of SARS-CoV-2. Beludavimab binds to recombinant spike protein receptor-binding domain (S-RBD) with an EC50 value of 14.9 ng/mL and a Kd of 0.21 nM[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Nonylquinolin-4(1H)-one

Pseudane IX, a compound isolated from the leaves of Ruta angustifolia, has strong anti-HCV activity with an IC50 value of 1.4 μg/mL. Pseudane IX reduces HCV RNA replication and viral protein synthesis levels[1].

  • CAS Number: 55396-45-7
  • MF: C18H25NO
  • MW: 271.40
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A