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 >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
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Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
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JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
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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
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
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
Stem Cell/Wnt >
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
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

ACSS2-IN-1

ACSS2-IN-1 is a potent ACSS2 inhibitor for the treatment of cancer.ACSS2-IN-1 (Cpmpound 1) is a potent ACSS2 inhibitor. ACSS2-IN-1 inhibits ACSS2 with the IC50 of 0.01 nM to <1 nM. ACSS2-IN-1 can be used for the research of cancer[1].

  • CAS Number: 2711039-08-4
  • MF: C27H25ClN6O2
  • MW: 500.98
  • Catalog: RSV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tenofovir-C3-O-C12-trimethylsilylacetylene ammonium

Tenofovir-C3-O-C12-trimethylsilylacetylene (ammonium) exhibits substantially longer t1/2 values than tenofovir in human liver microsomes, potent anti-HIV activity in vitro, and enhances pharmacokinetic properties in vivo.

  • CAS Number: 2611373-74-9
  • MF: C29H55N6O5PSi
  • MW: 626.84
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfamethazine sodium salt

Sulfamethazine sodium (Sulfadimidine sodium) is an antimicrobial that is widely used to treat and prevent various animal diseases (such as gastrointestinal and respiratory tract infections). In China and the European Commission, the maximum residue level for Sulfamethazine sodium in animal product is set at 100 µg/kg[1][2].

  • CAS Number: 1981-58-4
  • MF: C12H13N4NaO2S
  • MW: 300.312
  • Catalog: Bacterial
  • Density: 1.392g/cm3
  • Boiling Point: 526.2ºC at 760mmHg
  • Melting Point: 176ºC
  • Flash Point: 272.1ºC

Antistaphylococcal agent 1

Antistaphylococcal agent 1 is an antistaphylococcal therapeutic agent.

  • CAS Number: 2350182-68-0
  • MF: C22H16N6O2
  • MW: 396.40
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Quinoxyfen

Quinoxyfen (DE-795) is a powdery mildew fungicide[1].

  • CAS Number: 124495-18-7
  • MF: C15H8Cl2FNO
  • MW: 308.13
  • Catalog: Fungal
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 423.2±45.0 °C at 760 mmHg
  • Melting Point: 105-106°
  • Flash Point: 209.7±28.7 °C

Antibacterial agent 54

Antibacterial agent 54 (example 20) is a antibacterial agent (extracted from patent WO2013030735A1)[1].

  • CAS Number: 1426572-62-4
  • MF: C9H11N4NaO5S2
  • MW: 342.33
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV-1 integrase inhibitor 4

HIV-1 integrase inhibitor 4 is a HIV-1 integrase strand transfer (INST) inhibitor with an IC50 of 3.7 nM.

  • CAS Number: 1638504-66-1
  • MF: C24H20F2N4O5S
  • MW: 514.50
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Quinazolinone

4(3H)-Quinazolinone is a building block in chemical synthesis. Biologically active nitrogen heterocyclic compounds. Possesses a wide spectrum of biological properties like antibacterial, antifungal, anticonvulsant, anti-inflammatory, anti-HIV, anticancerous and analgesic activities[1][2].

  • CAS Number: 491-36-1
  • MF: C8H6N2O
  • MW: 146.146
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 324.8±15.0 °C at 760 mmHg
  • Melting Point: 216-219 °C(lit.)
  • Flash Point: 150.2±20.4 °C

Glaucine

Glaucine (O,O-Dimethylisoboldine) is an alkaloid isolated from Glaucium flavum Crantz with antitussive, bronchodilation and anti-inflammatory properties. Glaucine is a selective and orally active phosphodiesterase 4 (PDE4) inhibitor with Kis of 3.4 µM in human bronchus and polymorphonuclear leukocytes. Glaucine is also a non-selective α-adrenoceptor antagonist, a Ca2+ entry blocker, and a weak dopamine D1 and D2 receptor antagonist. Glaucine has antioxidative and antiviral activities[1][2][3].

  • CAS Number: 475-81-0
  • MF: C21H25NO4
  • MW: 355.427
  • Catalog: Influenza Virus
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 487.0±45.0 °C at 760 mmHg
  • Melting Point: 246-247ºC
  • Flash Point: 140.2±25.9 °C

N-3-oxo-tetradecanoyl-L-Homoserine lactone

N-3-Oxo-tetradecanoyl-L-homoserine lactone (oxo-C14-HSL) is a rhizobacterial inducer and can improve basic defense against nematodes[1].

  • CAS Number: 177158-19-9
  • MF: C18H31NO4
  • MW: 325.443
  • Catalog: Bacterial
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 537.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 278.7±30.1 °C

NITD-349

NITD-349 is an MmpL3 inhibitor that shows highly potent anti-mycobacterial activity with MIC50 of 23 nM against virulent Mycobacterium tuberculosis H37Rv.

  • CAS Number: 1473450-62-2
  • MF: C17H20F2N2O
  • MW: 306.35
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cadrofloxacin

Cadrofloxacin (Caderofloxacin; CS-940), a orally active fluoroquinolone, is effective against aerobic/anaerobic Gram-positive and Gram-negative bacteria. Cadrofloxacin can be used for the research of infectious diseases[1][2][3].

  • CAS Number: 153808-85-6
  • MF: C19H20F3N3O4
  • MW: 411.37500
  • Catalog: Bacterial
  • Density: 1.458g/cm3
  • Boiling Point: 602.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 318.1ºC

AT-9010 triethylamine

AT-9010 triethylamine, a triphosphate active metabolite of AT-527, is a potent inhibitor of NiRAN (a function essential for viral replication). AT-9010 triethylamine can inhibit SARS-CoV-2 replication[1].

  • CAS Number: 2648089-95-4
  • MF: C35H77FN9O13P3
  • MW: 943.96
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

16,17-Dihydroheronamide C

16,17-Dihydroheronamide C has antifungal activity and is designed as probe for the mode-of-action analysis of heronamide C[1].

  • CAS Number: 2698333-36-5
  • MF: C29H41NO3
  • MW: 451.64
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lomtegovimab

Lomtegovimab (BI 767551) is a humanized anti-SARS-COV-2 spike glycoprotein monoclonal antibody. Lomtegovimab binds and neutralizes SARS-CoV-2. Lomtegovimab shows antiviral efficacy. Lomtegovimab has the potential for the research of COVID-19[1][2].

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

Buparvaquone

Buparvaquone is a hydroxynaphthoquinone antiprotozoal drug related to parvaquone and atovaquone.

  • CAS Number: 88426-33-9
  • MF: C21H26O3
  • MW: 326.429
  • Catalog: Parasite
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 460.7±45.0 °C at 760 mmHg
  • Melting Point: 178-184ºC
  • Flash Point: 246.5±25.2 °C

phosphoglycolohydroxamate

Phosphoglycolohydroxamic acid is a potent aldolase and triose-phosphate isomerase inhibitor. Phosphoglycolohydroxamic acid can be used in the research of antibacterial and antifungal area[1][2].

  • CAS Number: 51528-59-7
  • MF: C2H6NO6P
  • MW: 171.04600
  • Catalog: Bacterial
  • Density: 1.889g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cilastatin Sodium

Cilastatin sodium (MK0791 sodium) is a reversible, competitive renal dehydropeptidase I inhibitor with an IC50 of 0.1 μM. Cilastatin sodium inhibits the bacterial metallob-lactamase enzyme CphA with an IC50 of 178 μM. Cilastatin sodium is an antibacterial adjunct[1][2][3].

  • CAS Number: 81129-83-1
  • MF: C16H25N2NaO5S
  • MW: 380.43500
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 655.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 350.2ºC

Nafcillin sodium salt monohydrate

Nafcillin sodium monohydrate is a semi-synthetic antibiotic related to penicillin.Target: AntibacterialNafcillin sodium is a narrow-spectrum, beta-lactam antibiotic of the penicillin class. As a beta-lactamase-resistant penicillin, it is used to treat infections caused by Gram-positive bacteria, in particular, species of staphylococci that are resistant to other penicillins. Nafcillin is considered therapeutically equivalent to oxacillin, although its safety profile is somewhat different. Nafcillin was shown to reversibly inhibit beta-lactamase from Staphylococcus aureus PC1 with characteristics indicative of a type A inhibitor [Citri, Samuni & Zyk (1976) Proc. Natl. Acad. Sci. U.S.A. 73, 1048-1052]. At nafcillin concentrations above 80 mM, complete inactivation occurred within 200 s. Upon removal of the excess nafcillin the inhibited enzyme was re-activated completely, with a rate constant of 2.0 x 10(-3) s-1 (25 degrees C) [1, 2].

  • CAS Number: 7177-50-6
  • MF: C21H23N2NaO6S
  • MW: 454.472
  • Catalog: Bacterial
  • Density: 1.42 g/cm3
  • Boiling Point: 714.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 385.7ºC

4-Hydroxybenzoic acid-13c

4-Hydroxybenzoic acid-13C is the 13C labeled 4-Hydroxybenzoic acid[1]. 4-Hydroxybenzoic acid, a phenolic derivative of benzoic acid, could inhibit most gram-positive and some gram-negative bacteria, with an IC50 of 160 μg/mL[2].

  • CAS Number: 146672-02-8
  • MF: C7H6O3
  • MW: 139.11300
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 214-215ºC(lit.)
  • Flash Point: N/A

Grazoprevir sodium salt

Grazoprevir sodium salt (MK-5172 sodium salt) is a selective inhibitor of Hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants, with Kis of 0.01 nM (gt1b), 0.01 nM (gt1a), 0.08 nM (gt2a), 0.15 nM (gt2b), 0.90 nM (gt3a), respectively.

  • CAS Number: 1425038-27-2
  • MF: C38H49N6NaO9S
  • MW: 788.885
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hexachlorophene

Hexachlorophene(Hexachlorofen) is a potent KCNQ1/KCNE1 potassium channel activator with EC50 of 4.61 ± 1.29 μM; also is an inhibitor of Wnt/beta-catenin signaling.IC50 value: 4.61 ± 1.29 μM(EC50) [1]Target: KCNQ1 activatorin vitro: HCP potently increases the current amplitude of KCNQ1/KCNE1 expressed by stabilizing the channel in an open state with an EC(50) of 4.61 ± 1.29 μM. Further studies in cardiomyocytes showed that HCP significantly shortens the action potential duration at 1 μM. In addition, HCP is capable of rescuing the loss of function of the LQTs mutants caused by either impaired activation gating or phosphatidylinositol-4,5-bisphosphate (PIP2) binding affinity [1]. Hexachlorophene antagonized CRT that was stimulated by Wnt3a-conditioned medium by promoting the degradation of beta-catenin. hexachlorophene represses the expression of cyclin D1 [2]. Triclosan and hexachlorophene inhibited both ecFabI and saFabI. hexachlorophene prevented the formation of a stable FabI-NAD(P)(+)-drug ternary complex [3].

  • CAS Number: 70-30-4
  • MF: C13H6Cl6O2
  • MW: 406.904
  • Catalog: Bacterial
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 470.9±40.0 °C at 760 mmHg
  • Melting Point: 163-165 °C(lit.)
  • Flash Point: 238.6±27.3 °C

FAAL-IN-1

FAAL-IN-1 (compound 32) is a selective inhibitor of fatty acyl-AMP ligase (FAAL), with a Ki of 0.7 μM for FAAL28. FAAL-IN-1 shows antimycobacterial activity[1].

  • CAS Number: 1965250-07-0
  • MF: C27H38N6O8S
  • MW: 606.69
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antibacterial agent 53

Antibacterial agent 53 (example 19) is a antibacterial agent (extracted from patent WO2013030735A1)[1].

  • CAS Number: 1426572-61-3
  • MF: C15H17N5O6S
  • MW: 395.39
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lyoniside

Lyoniside is a lignan glycoside with antioxidant, allelopathic and antifungal activities, which can be isolated from the rhizomes and stems of bilberry (Vaccinium myrtillus L.). Lyoniside exhibits radical scavenging properties with an IC50 value of 23 μg/mL in DPPH assay. Lyoniside inhibits the mycelial growth of Fusarium oxysporum and Mucor hiemalis at 50 μg/mL with inhibitory rates of 78% and 80%, respectively[1].

  • CAS Number: 34425-25-7
  • MF: C27H36O12
  • MW: 552.57
  • Catalog: Fungal
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 756.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 411.1±32.9 °C

Cephalothin Sodium

Cephalothin sodium is a first generation cephem antibiotic with a wide range antibacterial activity, is active against gram-positive and gram-negative bacteria.

  • CAS Number: 58-71-9
  • MF: C16H15N2NaO6S2
  • MW: 418.420
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 757.2ºC at 760 mmHg
  • Melting Point: 240°C
  • Flash Point: 411.8ºC

HBV-IN-34

HBV-IN-34 (compound 17i) is a potent HBsAg production inhibitor. HBV-IN-34 exhibits excellent in vitro anti-HBV potency, with an EC50 of 0.018 μM and 0.044 μM for HBV DNA and HBsAg, respectively[1].

  • CAS Number: 2716906-45-3
  • MF: C21H19F2N7
  • MW: 407.42
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac-(6-O-stearoyl)-muramyl-Ala-D-Glu-NH2

L18-MDP is a derivative of muramyl dipeptide, an antibacterial agent. L18-MDP has antibacterial activity and has potential applications in bacterial and fungal infections[1].

  • CAS Number: 60398-08-5
  • MF: C37H66N4O12
  • MW: 758.940
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 1018.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 569.8±34.3 °C

Diallyl trisulfide

Diallyl Trisulfide is isolated from Garlic. Diallyl Trisulfide suppresses the growth of Penicillium expansum (MFC99 value: ≤ 90 μg/mL) and promotes apoptosis via production of reactive oxygen species (ROS) and disintegration of cellular ultrastructure. Anticancer effect[1].

  • CAS Number: 2050-87-5
  • MF: C6H10S3
  • MW: 178.339
  • Catalog: Fungal
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 229.5±43.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 87.8±25.2 °C

Entecavir

Entecavir (SQ 34676; BMS 200475) is a potent and selective inhibitor of HBV, with an EC50 of 3.75 nM in HepG2 cell.

  • CAS Number: 142217-69-4
  • MF: C12H15N5O3
  • MW: 277.279
  • Catalog: HBV
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 734.2ºC at 760 mmHg
  • Melting Point: 249-252ºC
  • Flash Point: 397.9ºC