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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Autophagy >
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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 >
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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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LONGISTYLINE A

Longistyline A (Longistylin A) is a natural stilbene, it can be isolated from leaves of Cajanus cajan. Longistyline A shows antimicrobial activity against MRSA with an MIC value of 1.56 μg/mL. Longistyline A shows neuroprotective effects, it can be used for the research of infection and nerve diseases[1][2].

  • CAS Number: 64095-60-9
  • MF: C20H22O2
  • MW: 294.38700
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HCV-IN-29

HCV-IN-29 is a hepatitis C virus (HCV) inhibitor exacted from patent US8329159B2, compound 1e[1].

  • CAS Number: 1009119-83-8
  • MF: C26H32Cl4N6
  • MW: 570.385
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TKB245

TKB245 is a highly potent SARS-CoV-2 Mpro inhibitor that effectively blocks SARS-CoV-2 replication in VeroE6 cells[1].

  • CAS Number: 2892688-16-1
  • MF: C30H35F4N5O5S
  • MW: 653.69
  • Catalog: SARS-CoV
  • 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

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

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

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

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

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

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

Caesalmin E

Caesalmin E is a natural cassane furanoditerpene with anti-Para3 (Parainfluenza virus type 3) virus activities[1].

  • CAS Number: 204185-91-1
  • MF: C26H36O9
  • MW: 492.56
  • Catalog: Influenza Virus
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 514.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 264.8±30.1 °C

Dehydro-alpha-lapachone

Dehydro-α-lapachone can be isolated from the methanol extract of stems of Catalpa ovata G Don. Dehydro-α-lapachone inhibits mycelial growth of Botrytis cinerea with IC50 value 0.41 mg/L[1].

  • CAS Number: 15297-92-4
  • MF: C15H12O3
  • MW: 240.25
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 395.2±42.0 °C at 760 mmHg
  • Melting Point: 145 °C
  • Flash Point: 177.0±27.9 °C

Malacidin B

Malacidin B is a macrocyclic lipopeptide antibiotic that shows antibacterial activity in a calcium-dependent manner[1][2].

  • CAS Number: 2254483-96-8
  • MF: C57H90N12O20
  • MW: 1263.39
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Quinupristin

Quinupristin is a streptogramin antibiotic. Quinupristin blocks peptide bond synthesis to prevent the extension of polypeptide chains and promote the detachment of incomplete protein chains in the bacterial ribosomal subunits[1] [2].

  • CAS Number: 120138-50-3
  • MF: C53H67N9O10S
  • MW: 1022.22000
  • Catalog: Bacterial
  • Density: 1.38g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

28-Demethyl-β-amyrone

28-Demethyl-β-amyrone (28-Norolean-12-en-3-one) is one of the main triterpenes from Pistacia lentiscus var. Chia[1]. 28-Demethyl-β-amyrone is an antitoxin and can effectively for the toxic effects of Staphylococcal enterotoxins (SEs)[2].

  • CAS Number: 73493-60-4
  • MF: C29H46O
  • MW: 410.67500
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 191-193 °C
  • Flash Point: N/A

garenoxacin mesylate

Garenoxacin (BMS 284756) mesylate is an orally active quinolone antibiotic and Garenoxacin mesylate has a broad spectrum of activity against a wide array of gram-positive and gram-negative bacteria, anaerobes. Garenoxacin mesylate also inhibits Gyrase and TOPO IV[1][2][3][4].

  • CAS Number: 223652-82-2
  • MF: C24H24F2N2O7S
  • MW: 522.52
  • Catalog: Bacterial
  • Density: 1.421g/cm3
  • Boiling Point: 581.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 305.5ºC

HIV-1 integrase inhibitor 9

HIV-1 integrase inhibitor 9 (compound 8a) is a potent HIV-1 RNase H inhibitor with an IC50 of 12.3 μM. HIV-1 integrase inhibitor 9 shows an antiviral activity[1].

  • CAS Number: 2709085-95-8
  • MF: C18H12N2O10
  • MW: 416.30
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cenicriviroc

Cenicriviroc is an orally active, dual CCR2/CCR5 antagonist, also inhibits both HIV-1 and HIV-2, and displays potent anti-inflammatory and antiinfective activity.

  • CAS Number: 497223-25-3
  • MF: C41H52N4O4S
  • MW: 696.941
  • Catalog: HIV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 913.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 506.3±34.3 °C

Isorhapontin

Isorhapontin is an antifungal agent. Isorhapontin inhibits the hydrolytic activity of Trichoderma cellobiohydrolase I (CBH I) with a Ki of 57.2 μM. Isorhapontin also inhibits the activity of Trichoderma endoglucanase I[1][2].

  • CAS Number: 32727-29-0
  • MF: C21H24O9
  • MW: 420.41000
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Simpinicline

Simpinicline (OC-02), a highly selective nicotinic acetylcholine receptor (nAChR) agonist, shows potent antiviral activity against the SARS-CoV-2 variants in cell culture with an IC50 of 0.04 µM[1].

  • CAS Number: 753015-44-0
  • MF: C10H13N3
  • MW: 175.23
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

iKIX1

A small-molecule inhibitor of the interaction of the C. glabrata Pdr1 activation domain with the C. glabrata Gal11A KIX domain with Ki of 18 uM; blocks Gal11/Med15 recruitment and inhibits Pdr1-dependent gene activation and re-sensitizes drug-resistant C. glabrata to azole antifungals in vitro and in animal models for disseminated and urinary tract C. glabrata infection; a novel therapeutic strategy in fungal infectious disease.

  • CAS Number: 656222-54-7
  • MF: C10H8Cl2N4OS
  • MW: 303.168
  • Catalog: Fungal
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Fluorouracil-13C,15N2

5-Fluorouracil-13C,15N2 is the 13C and 15N labeled 5-Fluorouracil[1]. 5-Fluorouracil (5-FU) is an analogue of uracil and a potent antitumor agent. 5-Fluorouracil affects pyrimidine synthesis by inhibiting thymidylate synthetase thus depleting intracellular dTTP pools. 5-Fluorouracil induces apoptosis and can be used as a chemical sensitizer[2][3]. 5-Fluorouracil also inhibits HIV[4].

  • CAS Number: 1189423-58-2
  • MF: C313CH3F15N2O2
  • MW: 133.057
  • Catalog: HIV
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SARS-CoV-2 Mpro-IN-12

SARS-CoV-2 Mpro-IN-12 (compound D026) is a SARS-CoV-2 main protease (Mpro) inhibitor with antiviral activities[1].

  • CAS Number: 370583-15-6
  • MF: C20H17NO3
  • MW: 319.35
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A