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 >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
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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 >
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Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
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Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
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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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VD/VDR
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Acetylazide

Acetylazide is a synthetic broad-spectrum bacteriostatic antibiotic.

  • CAS Number: 3590-05-4
  • MF: C13H14N4O4S
  • MW: 322.34000
  • Catalog: Bacterial
  • Density: 1.442g/cm3
  • Boiling Point: 524.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 271.2ºC

Saccharothrixin K

Saccharothrixin K, a glycosylated saccharothrixin, shows moderate inhibition against Helicobacter pylori G27, H. pylori 159, and Staphylococcus aureus ATCC25923 with MIC values of 16 μg/mL[1].

  • CAS Number: 1808951-87-2
  • MF: C26H26O8
  • MW: 466.48
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

S.pombe lumazine synthase-IN-1

S.pombe lumazine synthase-IN-1 is an inhibitor of lumazine synthases with Ki values of 243 μM and 9.6 μM for Schizosaccharomyces pombe and Mycobacterium tuberculosis lumazine synthases, respectively[1].

  • CAS Number: 331726-35-3
  • MF: C14H13N3O6
  • MW: 319.27
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PPm

PPm, a derivative of penthiopyrad and hapten, is a representative member of the succinate dehydrogenase inhibitors group of fungicides[1].

  • CAS Number: 2101951-47-5
  • MF: C17H20F3N3O3S
  • MW: 403.42
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BO3482

BO3482 has Antimicrobial activity and can inhibit the growth of methicillin-resistant Staphylococci (MRS) with an MIC90 of 6.25 mg/mL.

  • CAS Number: 198013-53-5
  • MF: C14H20N2NaO5S2
  • MW: 383.44
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vidarabine monohydrate

Vidarabine monohydrate is an adenine arabinoside. Vidarabine monohydrate an antiviral drug which is active against herpes simplex viruses (HSV) and varicella zoster viruses[1].

  • CAS Number: 24356-66-9
  • MF: C10H15N5O5
  • MW: 285.257
  • Catalog: HSV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 257.0-257.5ºC (0.4 H2O)
  • Flash Point: N/A

SARS-CoV-2-IN-38

SARS-CoV-2-IN-38 (compound 24) is a SARS-CoV-2 inhibitor with good oral bioavailability in mice (F%=39.75%)[1].

  • CAS Number: 2882823-27-8
  • MF: C18H14ClF4NO4
  • MW: 419.75
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Metallo β-lactamase ligand 1

Metallo-beta-lactamase ligand 1 is a class B β-lactamase inhibitor with antibacterial activity extracted from patent WO2019221122A1, compound A[1].

  • CAS Number: 1087784-71-1
  • MF: C7H9NO5S
  • MW: 219.22
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-Pro-OH-13C5,15N

Fmoc-Pro-OH-13C5,15N is a 15N-labeled and 13C-labled Pyrimethanil. Pyrimethanil is an anilinopyrimidine and broad-spectrum contact fungicide for the control of Botrytis spp. on a wide variety of crops[1]. Pyrimethanil inhibits the biosynthesis of methioni

  • CAS Number: 1217452-48-6
  • MF: C1513C5H1915NO4
  • MW: 343.33
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

jaceidin triacetate

Jaceidin triacetate(compound 54) is a natural compound isolated formmarulabark.Jaceidin triacetatecan inhibitSARS-CoV-2 Mpro, with theIC50of 11.9μM.Jaceidin triacetateinhibits the replication of Sars-Cov-2 Viral in Vero-E6 cells[1][2].

  • CAS Number: 14397-69-4
  • MF: C24H22O11
  • MW: 486.425
  • Catalog: SARS-CoV
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 599.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 257.5±30.2 °C

Oritavancin Diphosphate

Oritavancin diphosphate is a novel semisynthetic glycopeptide antibiotic being developed for the treatment of serious Gram-positive bacterial infections. Target: AntibacterialOritavancin is a lipoglycopeptide.Oritavancin has completed clinical trials and submitted a new drug application for treatment of skin infections.

  • CAS Number: 192564-14-0
  • MF: C86H103Cl3N10O34P2
  • MW: 1989.091
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfachloropyridazine-13C6

Sulfachloropyridazine-13C6 is the 13C6 labeled Sulfachloropyridazine. Sulfachloropyridazine is a broad spectrum sulfonamide used against both Gram-positive and Gram-negative aerobic bacteria.

  • CAS Number: 2731998-51-7
  • MF: C413C6H9ClN4O2S
  • MW: 290.68
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3′-Omethyl-5′-hydroxydiplacone

3′-Omethyl-5′-hydroxydiplacone (compound 2), an C-6-geranylflavonoid, can be isolated from the ethanol extract of Paulownia tomentosa fruits. 3′-Omethyl-5′-hydroxydiplacone has antibacterial activity against Gram-positive bacteria[1].

  • CAS Number: 1005517-26-9
  • MF: C26H30O7
  • MW: 454.51
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Furagin

Furagin, nitrofurantoin analog, is an anti-bacterial agent. Furagin is 2-substituted 5-nitrofuran, chemically and structurally similar to well-known antibacterial compound nitrofurantoin.IC50 Value: Target: Antibacterialin vitro: The furagin concentrations in serum remain several hours above the MIC concentrations of many pathogenic bacteria. Despite the high concentrations in serum, the urine levels of furagin were generally lower than those of nitrofurantoin. The 24 hr recoveries in urine were 8--13% for furagin and about 36% for nitrofurantoin [1].in vivo: A time-independent increase in SCE frequency was found in lymphocytes of children treated with furagin. Total CA frequency did not differ significantly between groups of children with various duration of furagin treatment [2]. Women were randomised into two groups receiving either ciprofloxacin 250mg twice a day for 3 days (n=13) or furagin 100mg three times a day for 7 days (n=14). Median lengths of follow-up were 4 days and 5 days in the ciprofloxacin and furagin groups, respectively [3].

  • CAS Number: 1672-88-4
  • MF: C10H8N4O5
  • MW: 264.194
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 267-270ºC (dec.)
  • Flash Point: N/A

VCH-916

VCH-916 is a novel nonnucleoside HCV NS5B polymerase inhibitor.IC50 Value: Target: HCVVCH-916 is a novel allosteric inhibitor of HCV NS5B polymerase. The RNA-dependent RNA polymerase (NS5B) of HCV is one of the attractive validated targets for development of new drugs to block HCV infection. VCH-916 is currently being evaluated for safety/tolerability, pharmacokinetics and anti-viral efficacy in chronically infected HCV patient.

  • CAS Number: 1200133-34-1
  • MF: C26H36KNO4S
  • MW: 497.732
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

pUL89 Endonuclease-IN-2

pUL89 Endonuclease-IN-2 (Compound 15k) is a potent inhibitor of human cytomegalovirus (HCMV) pUL89 endonuclease with the IC50 of 3.0 μM. Antiviral activities[1].

  • CAS Number: 519021-48-8
  • MF: C17H12F3N3O3S
  • MW: 395.36
  • Catalog: CMV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PK150

PK150, an analogue of Sorafenib, shows oral bioavailability and antibacterial activity against several pathogenic strains at submicromolar concentrations. PK150 inhibits Gram-positive Methicillin-sensitive S. aureus (MSSA), Methicillin-resistant S. aureus (MRSA), Vancomycin intermediate S. aureus (VISA) with MICs of 0.3, 0.3-1, 0.3 µM, respectively[1].

  • CAS Number: 2165324-62-7
  • MF: C15H8ClF5N2O3
  • MW: 394.68
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BPH-1358

BPH-1358 (NSC50460) is a potent human farnesyl diphosphate synthase (FPPS) and undecaprenyl diphosphate synthase (UPPS) inhibitor with IC50s of 1.8 μM and 110 nM, respectively, and is active against S. aureus in vitro (MIC ~250 ng/mL)[1][2].

  • CAS Number: 5352-53-4
  • MF: C32H30Cl2N6O2
  • MW: 565.06500
  • Catalog: Bacterial
  • Density: 1.32g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

valnemulin Hydrochloride

Valnemulin hydrochloride is a pleuromutilin antibiotic which inhibits protein synthesis in bacteria by binding the peptidyl transferase enzyme in the 50s ribosomal subunit.

  • CAS Number: 133868-46-9
  • MF: C31H53ClN2O5S
  • MW: 601.281
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 672.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 360.6ºC

Medicagenic acid

Medicagenic acid (Castanogenin) is isolated from the roots of Herniaria glabra L, exhibits potent fungistatic effects against several plant pathogens and human dermatophytes[1]. Medicagenic acid (Castanogenin) has low enzyme inhibitory activities, the target enzymes are xanthine oxidase, collagenase, elastase, tyrosinase, ChE[2].

  • CAS Number: 599-07-5
  • MF: C30H46O6
  • MW: 502.68300
  • Catalog: Bacterial
  • Density: 1.23g/cm3
  • Boiling Point: 635.9ºC at 760 mmHg
  • Melting Point: 380-382ºC (dec.)
  • Flash Point: 352.4ºC

Zabofloxacin

Zabofloxacin (DW-224a Free base) is a novel fluoronaphthyridone quinolone with a 7-pyrrolidone substituent that is considered a potent antibacterial candidate for clinical trials.Zabofloxacin (DW-224a Free base) has excellent activity against gram-positive pathogens including Steptococcus aureus , Streptococcus pyogenes and S.pneumonia.Zabofloxacin (DW-224a Free base) is considered as an alternative candidate for treatment of quinolone-susceptible (QSSP) and quinolone-resistant gonorrhea (QRSP)[1].

  • CAS Number: 219680-11-2
  • MF: C19H20FN5O4
  • MW: 401.392
  • Catalog: Bacterial
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 658.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 352.2±34.3 °C

Micrococcin P1

Micrococcin P1 is a macrocyclic peptide antibiotic and is a potent hepatitis C virus (HCV) inhibitor with an EC50 range of 0.1-0.5 μM[1]. Micrococcin P1 has in vitro antibacterial activity against Gram-positive bacterial strains. The MIC values of Micrococcin P1 against S. aureus 1974149, E. faecalis 1674621 and S. pyogenes 1744264 are 2 μg/mL, 1 μg/mL and 1 μg/mL, respectively[2]. Micrococcin P1 is also a potent inhibitor of the malaria parasite Plasmodium falciparum[3].

  • CAS Number: 67401-56-3
  • MF: C48H49N13O9S6
  • MW: 1144.37000
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bifendatatum

Bifendate (DDB) is a synthetic intermediate of Schisandrin C with anti-HBV efficacy in research of chronic hepatitis B[1].

  • CAS Number: 73536-69-3
  • MF: C20H18O10
  • MW: 418.351
  • Catalog: HBV
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 606.9±55.0 °C at 760 mmHg
  • Melting Point: 181 °C
  • Flash Point: 265.9±31.5 °C

OX11

OX11 is a selective inhibitor of S. pneumoniae, P. aeruginosa, and E. coli bacterial strains[1].

  • CAS Number: 2414598-74-4
  • MF: C17H10Cl2N4O3S2
  • MW: 453.32
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Alisol F 24-acetate

Alisol F 24-acetate is a triterpene compound that can be isolated from the rhizomes of Alisma orientalis. Alisol F 24-acetate inhibits the secretion of HBV surface antigen HBsAg and HBeAg with IC50 values of 7.7 µM and 5.1 µM. Alisol F 24-acetate has proapoptotic activity and can be used for cancer research[1][2].

  • CAS Number: 443683-76-9
  • MF: C32H50O6
  • MW: 530.736
  • Catalog: HBV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 634.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 195.8±25.0 °C

Penetratin-Arg

Penetratin-Arg is an antimicrobial and is used for drug delivery vehicle[1].

  • CAS Number: 474634-55-4
  • MF: C104H168N42O20S
  • MW: 2358.78
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ThrRS-IN-1

ThrRS-IN-1 (Compound 30d) is a threonyl-tRNA synthetase (ThrRS) inhibitor with an IC50 of 1.4 µM and a Kd of 1.36 µM against Salmonella enterica ThrRS (SeThrRS). ThrRS-IN-1 simultaneously targets the tRNAThr and L-threonine binding pockets of ThrRS. ThrRS-IN-1 shows potent antibacterial activities[1].

  • CAS Number: 2408626-64-0
  • MF: C16H18Cl2N4O3
  • MW: 385.25
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PB 28 dihydrochloride

A potent, mixed sigma2 agonist and sigma1 antagonist with Ki of 0.28 and 13.0 nM, respectively; inhibits cancer cell growth, modulates P-glycoprotein, and synergizes with doxorubicin in MCF7 and MCF ADR cells with IC50 in nanomolar range; increase G0-G1-phase fraction and caspase-independent apoptosis, also reduces P-gp expression.

  • CAS Number: 172907-03-8
  • MF: C24H40Cl2N2O
  • MW: 443.493
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nelfinavir

Nelfinavir(AG-1341) is a potent and orally bioavailable human immunodeficiency virus HIV-1 protease inhibitor (Ki=2 nM) and is widely prescribed in combination with HIV reverse transcriptase inhibitors for the treatment of HIV infection. IC50 Valur: 2 nM (Ki for HIV-1 protease) [2]Target: HIV Proteasein vitro: In vitro exposure (72 hours) of HAECs to NEL (0.25-2 μg/mL) decreased both basal (2.5-fold) and insulin-induced NO production (4- to 5-fold). NEL suppressed insulin-induced phosphorylation of both Akt and eNOS at serine residues 473 and 1177, respectively. NEL decreased tyrosine phosphorylation of IR-β, IRS-1, and PI3K. Coexposure to troglitazone (TRO; 250 nM) ameliorated the suppressive effects of NEL on insulin signaling and NO production. Coexposure to TRO also increased eNOS expression in NEL-treated HAECs [1]. AG1343 is a potent enzyme inhibitor (Ki = 2 nM) and antiviral agent (HIV-1 ED50 = 14 nM). An X-ray cocrystal structure of the enzyme-AG1343 complex reveals how the novel thiophenyl ether and phenol-amide substituents of the inhibitor interact with the S1 and S2 subsites of HIV-1 protease, respectively [2].in vivo: In vivo studies indicate that AG1343 is well absorbed orally in a variety of species and possesses favorable pharmacokinetic properties in humans [2].

  • CAS Number: 159989-64-7
  • MF: C32H45N3O4S
  • MW: 567.78
  • Catalog: HIV
  • Density: 1.22g/cm3
  • Boiling Point: 786.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 429.7ºC

NOSO-502

NOSO-502 (NOSO502) is a novel inhibitor of bacterial translation, has MIC values of 0.5-4 ug/ml against standard Enterobacteriaceae strains and carbapenem-resistant Enterobacteriaceae (CRE) isolates that produce KPC, AmpC, or OXA enzymes and metallo-β-lactamases; interacts strongly with a specific site on the 30S subunit of bacterial ribosomes but has no significant activity against any of the 55 cell surface receptors, transporters, or ion channels; NOSO-502 is active against a panel of Gram-positive and Gram-negative bacteria, including carbapenem-resistant and polymyxin-resistant strains, and exhibits promising in vivo activity in various murine infection models, a favorable in vitro safety profile, and a low potential for resistance development.

  • CAS Number: 1894081-09-4
  • MF: C47H80FN17O11
  • MW: 1078.263
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A