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
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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
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
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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 >
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Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Viroallosecurinine

(+)-Viroallosecurinine, isolated from Securinega virosa as a cytotoxic alkaloid, exhibits a MIC of 0.48 μg/mL for Ps. Aeruginosa and Staph. aureus[1]. Antibacterial activity[1].

  • CAS Number: 1857-30-3
  • MF: C13H15NO2
  • MW: 217.26
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 459.0±45.0 °C at 760 mmHg
  • Melting Point: 145-147 ºC (hexane acetone)
  • Flash Point: 197.0±19.6 °C

Melezitose

D-(+)-Melezitose hydrate ((+)-Melezitose hydrate) can be used to identify clinical isolates of indole-positive and indole-negative Klebsiella spp[1].

  • CAS Number: 207511-10-2
  • MF: C18H32O16.xH2O
  • MW: 504.437
  • Catalog: Bacterial
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 881.8±65.0 °C at 760 mmHg
  • Melting Point: 160 °C (dec.)(lit.)
  • Flash Point: 487.1±34.3 °C

Antitubercular agent-25

Antitubercular agent-25 (Compound 28) is an anti-tubercular agent with an extracellular IC50 of 0.42 μM and an intracellular IC50 of 0.20 μM against M. tuberculosis H37Rv. Antitubercular agent-25 exhibits good metabolic stability[1].

  • CAS Number: 1845719-91-6
  • MF: C18H16N4O3S2
  • MW: 400.47
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

beta-L-D4A

NSC 108602 is a nucleoside HIV-1 reverse transcriptase inhibitor.

  • CAS Number: 7057-48-9
  • MF: C10H11N5O2
  • MW: 233.22700
  • Catalog: HIV
  • Density: 1.74 g/cm3
  • Boiling Point: 553.9ºC at 760 mmHg
  • Melting Point: 187-189ºC
  • Flash Point: 288.8ºC

Fibracillin

Fibracillin is a penicillin antibiotic.

  • CAS Number: 51154-48-4
  • MF: C26H28ClN3O6S
  • MW: 546.03500
  • Catalog: Bacterial
  • Density: 1.43g/cm3
  • Boiling Point: 868.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 478.8ºC

Dimethyl sulfoxide

Dimethyl sulfoxide (DMSO) is an aprotic solvent that dissolves both polar and nonpolar compounds. Dimethyl sulfoxide has anti-freezing and bacteriostatic properties[1][2].

  • CAS Number: 67-68-5
  • MF: C2H6OS
  • MW: 78.13
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 189.0±9.0 °C at 760 mmHg
  • Melting Point: 18.4 °C
  • Flash Point: 85.0±0.0 °C

N-Hexanoyl-DL-homoserine lactone

N-Hexanoyl-DL-homoserine lactone is a bacterial quorum sensing molecule produced in the rhizosphere. N-Hexanoyl-DL-homoserine lactone, a bacterial quorum sensing signal, induces transcriptional changes in Arabidopsis and may contribute to tuning plant growth to the microbial composition of the rhizosphere[1].

  • CAS Number: 106983-28-2
  • MF: C10H17NO3
  • MW: 199.24700
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 101-106 °C
  • Flash Point: N/A

PXYD4

PXYD4 is a ribosomal protein S1 (RpsA) antagonist with Kds of 3.24 and 1.64 μM for RpsA-CTD and RpsA-CTD Δ438A, respectively. RpsA plays an important role in the trans-translation process of Mycobacterium Tuberculosis (Mtb)[1].

  • CAS Number: 2712534-78-4
  • MF: C25H21NO5
  • MW: 415.44
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Roxithromycin

Roxithromycin is a semi-synthetic macrolide antibiotic.Target: AntibacterialRoxithromycin is a semi-synthetic macrolide antibiotic. It is used to treat respiratory tract, urinary and soft tissue infections. Roxithromycin is derived from erythromycin, containing the same 14-membered lactone ring. Roxithromycin prevents bacteria from growing, by interfering with their protein synthesis. Roxithromycin binds to the subunit 50S of the bacterial ribosome, and thus inhibits the translocation of peptides. Roxithromycin has similar antimicrobial spectrum as erythromycin, but is more effective against certain gram-negative bacteria, particularly Legionella pneumophila. From Wikipedia.

  • CAS Number: 80214-83-1
  • MF: C41H76N2O15
  • MW: 837.047
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 864.7±75.0 °C at 760 mmHg
  • Melting Point: 115- 120ºC
  • Flash Point: 476.7±37.1 °C

Sulfapyridine

Sulfapyridine(Dagenan) is a sulfonamide antibacterial.Target: AntibacterialSulfapyridine(Dagenan) is a sulfonamide antibacterial. Sulfapyridine is not prescribed for the treatment in humans any more. However, it may be used to treat Linear IgA Disease. It is a good antibacterial drug, but its water solubility is very dependent on PH. Thus, there is a risk of crystallization within the bladder or urethra, which could lead to pain or blockage. The drug sulfasalazine is structurally one molecule of mesalamine linked to one molecule of Sulfapyridine with an azo bond [1].

  • CAS Number: 144-83-2
  • MF: C11H11N3O2S
  • MW: 249.289
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 473.5±51.0 °C at 760 mmHg
  • Melting Point: 191-193°C
  • Flash Point: 240.2±30.4 °C

PSI-7409 tetrasodium

PSI-7409 tetrasodium is an active 5'-triphosphate metabolite of sofosbuvir (PSI-7977), inhibiting HCV NS5B polymerases, with IC50s of 1.6, 2.8, 0.7 and 2.6 μM for GT 1b_Con1, GT 2a_JFH1, GT 3a, and GT 4a NS5B polymerases, respectively.

  • CAS Number: 1621884-22-7
  • MF: C10H16FN2Na4O14P3
  • MW: 588.09
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PC-766B

PC-766B is a macrolide antibiotic. PC-766B is active against Gram-positive bacteria, and some fungi and yeasts, but inactive against Gram-negative bacteria. PC-766B shows antitumor activity against murine tumor cells. PC-766B has weak inhibitory activity against Na+, K+-ATPase[1][2].

  • CAS Number: 108375-77-5
  • MF: C43H68O12
  • MW: 776.99
  • Catalog: Bacterial
  • Density: 1.17g/cm3
  • Boiling Point: 884.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 255.2ºC

3-Azaspiro[5.5]undecane,hydrochloride (1:1)

3-Azaspiro[5.5]undecane (4,4-Pentamethylenepiperidine) hydrochloride is an inhibitor targeting the WT influenza A virus M2 (A/M2), with an IC50 of 1 μM[1].

  • CAS Number: 1125-01-5
  • MF: C10H20ClN
  • MW: 189.73
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: 273.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 119.3ºC

farnesol

Farnesol is a sesquiterpene alcohol that modulates cell-to-cell communication in Candida albicans, and has the activity in inhibiting bacteria.

  • CAS Number: 4602-84-0
  • MF: C15H26O
  • MW: 222.366
  • Catalog: Bacterial
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 283.4±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 96.1±0.0 °C

Gatifloxacin sesquihydrate

Gatifloxacin sesquihydrate (AM-1155; BMS-206584; PD135432) is a potent fluoroquinolone antibiotic with broad-spectrum antibacterial activity. Gatifloxacin sesquihydrate inhibits bacterial type II topoisomerases (IC50=13.8 μg/ml for S. aureus topoisomerase IV) and E. coli DNA gyrase (IC50 = 0.109 μg/ml)[1]. Gatifloxacin sesquihydrate can be used to treat bacterial conjunctivitis in vivo.

  • CAS Number: 180200-66-2
  • MF: C19H22FN3O4.3/2H2O
  • MW: 804.834
  • Catalog: Bacterial
  • Density: 1.386 g/cm3
  • Boiling Point: 607.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 321.4ºC

HBV-IN-25

HBV-IN-25 is a good potency, orally active novel HBV cccDNA reducer. HBV-IN-25 has anti-HBeAg potency and anti-HBV activity with IC50 values of 0.58 μM and 1.15 μM, respectively. HBV-IN-25 has good aqueous solubility (LYSA>452 μg/mL) and good PK property with no cellular toxicity[1].

  • CAS Number: 2161364-69-6
  • MF: C18H14ClNO4
  • MW: 343.76
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

desethylene ciprofloxacin, hydrochloride

Desethylene Ciprofloxacin hydrochloride is a major metabolite of Ciprofloxacin (HY-B0356). Ciprofloxacin is an orally active topoisomerase IV inhibitor. Desethylene Ciprofloxacin hydrochloride has antibacterial activity[1].

  • CAS Number: 528851-31-2
  • MF: C15H17ClFN3O3
  • MW: 341.77
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: >240ºC dec.
  • Flash Point: N/A

PknB-IN-1

PknB-IN-1 (Compound 2) is a protein kinase B (PknB) inhibitor (IC50=14.4 μM). PknB-IN-1 shows anti-mycobacterial activity, can inhibit M. tuberculosis H37Rv strain growth (MIC=6.2 μg/mL)[1].

  • CAS Number: 1447917-39-6
  • MF: C25H30N2O2
  • MW: 390.52
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HBV-IN-21

HBV-IN-21 (Compound II-8b) is an HBV DNA replication inhibitor with an IC50 of 2.2 µM. HBV-IN-21 can interact HBV 4 capsid protein with good affinity (KD = 60.0 μM)[1].

  • CAS Number: 2460957-52-0
  • MF: C17H17FN4OS2
  • MW: 376.47
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FC131

FC131 TFA 是一种 CXCR4 拮抗剂,抑制 [125I]-SDF-1 与 CXCR4 结合,IC50 值为 4.5 nM。FC131 TFA 具有抗 HIV 的活性。

  • CAS Number: 606968-52-9
  • MF: C36H47N11O6
  • MW: 729.828
  • Catalog: HIV
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Monensin sodium salt

Monensin sodium salt is an antibiotic secreted by the bacteria Streptomyces cinnamonensis.

  • CAS Number: 22373-78-0
  • MF: C36H61NaO11
  • MW: 692.85
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 766.3ºC at 760 mmHg
  • Melting Point: 267-269ºC
  • Flash Point: 229.2ºC

Merbromin

Merbromin is a xanthene dye.

  • CAS Number: 129-16-8
  • MF: C20H10Br2HgNa2O6
  • MW: 752.67
  • Catalog: Dye Reagents
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: ≥300 °C
  • Flash Point: N/A

Tetrahydroxysqualene

Tetrahydroxysqualene is a triterpene, possessing antimycobacterial activity against Mycobacterium tuberculosis with an MIC of 10.0 μg/mL. Tetrahydroxysqualene can be isolated from the methanolic extracts of Rhus taitensis Guill[1].

  • CAS Number: 1043629-23-7
  • MF: C30H50O4
  • MW: 474.716
  • Catalog: Bacterial
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 620.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 250.3±24.7 °C

Omadacycline (tosylate)

Omadacycline tosylate is a new tetracycline antibiotic in the pipeline, which can inhibit the 30s subunit of bacterial ribosome.IC50 Value:Target: Antibacterialin vitro: in vivo: Clinical trial: Phase III Study to Compare the Safety and Efficacy of PTK-0796 in Patients With Complicated Skin and Skin Structure Infection (CSSSI).

  • CAS Number: 1075240-43-5
  • MF: C36H48N4O10S
  • MW: 728.85200
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Laburnetin

Laburnetin is a kind of isoflavone antibacterial agent. Laburnetin has antibacterial activity against fungi and S. vesicarium. Laburnetin intensifies the susceptibility of Methicillin (HY-121544) resistant Staphylococcus aureus (MRSA) strains to Methicillin. Laburnetin can be used to control pests of cultivated species[1][2][3].

  • CAS Number: 166375-17-3
  • MF: C20H18O6
  • MW: 354.35
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tipranavir

Tipranavir inhibits the enzymatic activity and dimerization of HIV-1 protease, exerts potent activity against multi-protease inhibitor (PI)-resistant HIV-1 isolates with IC50s of 66-410 nM.

  • CAS Number: 174484-41-4
  • MF: C31H33F3N2O5S
  • MW: 602.66400
  • Catalog: HIV
  • Density: 1.313g/cm3
  • Boiling Point: 680ºC at 760mmHg
  • Melting Point: 86-89ºC
  • Flash Point: 365.1ºC

Sevirumab

Sevirumab (MSL-109) is a human IgG1 neutralizing monoclonal antibody against cytomegalovirus (CMV). Sevirumab recognizes CMV gH complexes and inhibits CMV replication with an EC50 of 0.3 μg/mL[1][2].

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

MAC13772

MAC13772 is a potent inhibitor of the enzyme BioA (IC50=250 nM), the antepenultimate step in biotin biosynthesis. MAC13772 is a novel antibacterial compound[1].

  • CAS Number: 4871-40-3
  • MF: C8H9N3O3S
  • MW: 227.24000
  • Catalog: Bacterial
  • Density: 1.44 g/cm3
  • Boiling Point: 461ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 232.6ºC

β-Propiolactone

Propiolactone (β-propiolactone; 2-Oxetanone) is a viral chemical inactivator that causes the infectious inactivation of viruses. Propiolactone was co-incubated with SARS-CoV at a ratio of 1:1000 (v:v) and used as a bacteriostatic agent to formulate the BPL-inactivated influenza virus vaccine (Flu-BPL)[1][2].

  • CAS Number: 57-57-8
  • MF: C3H4O2
  • MW: 72.063
  • Catalog: SARS-CoV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 162.0±0.0 °C at 760 mmHg
  • Melting Point: −33 °C(lit.)
  • Flash Point: 35.0±16.1 °C

NK007

NK007 is a novel anti-SARS-CoV-2 agent with an EC50 value of 30 nM.

  • CAS Number: 2488661-53-4
  • MF: C28H33NO9
  • MW: 527.56
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A