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
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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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VD/VDR
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Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Abacavir (sulfate)

Abacavir monosulfate is a competitive, orally active nucleoside reverse transcriptase inhibitor. Abacavir monosulfate can inhibits the replication of HIV. Abacavir monosulfate shows anticancer activity in prostate cancer cell lines. Abacavir monosulfate can trespass the blood-brain-barrier and suppresses telomerase activity[1][2][3].

  • CAS Number: 216699-07-9
  • MF: C14H20N6O5S
  • MW: 384.411
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulconazole

Sulconazole is a potent antifungal agent in the imidazole class. Sulconazole blocks the NF-κB/IL-8 signaling pathway and CSC (Cancer stem cells) formation. Sulconazole inhibits tumor growth, and can be used for breast cancer research[1].

  • CAS Number: 61318-90-9
  • MF: C18H15Cl3N2S
  • MW: 397.75
  • Catalog: Fungal
  • Density: 1.34 g/cm3
  • Boiling Point: 558.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 291.4ºC

1-Naphthylmethanol

1-Naphthalenemethanol is a natural compound the root bark extracts of Annona senegalensis with antibacterial activity[1].

  • CAS Number: 4780-79-4
  • MF: C11H10O
  • MW: 158.197
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 303.6±0.0 °C at 760 mmHg
  • Melting Point: 61-63 °C(lit.)
  • Flash Point: 154.0±15.1 °C

Imdevimab

Imdevimab (REGN10987) is a human monoclonal antibody to target SARS-CoV-2 virus, which causes COVID-19. Imdevimab lacks efficacy against COVID-19 variants. Imdevimab can be used in combination with Casirivimab (HY-P99341), it reduces viral load and improves diseases[1].

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

DL-Glyceraldehyde 3-phosphate

DL-Glyceraldehyde 3-phosphate is an intermediate in several metabolic pathways, including glycolysis and gluconeogenesis. DL-Glyceraldehyde 3-phosphate is a potent inhibitor of the growth of E. coli. DL-Glyceraldehyde 3-phosphate is a competitive inhibitor of the acyltransferase[1][2].

  • CAS Number: 591-59-3
  • MF: C3H7O6P
  • MW: 170.05800
  • Catalog: Bacterial
  • Density: 1.721g/cm3
  • Boiling Point: 399.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 195.2ºC

SARS-CoV-2 3CLpro-IN-13

SARS-CoV-2 3CLpro-IN-13 is a potent SARS-CoV-2 3CL protease inhibitor with an IC50 value of 21 nM. SARS-CoV-2 3CLpro-IN-13 shows anti-coronavirus activity[1].

  • CAS Number: 622794-09-6
  • MF: C16H16N4S2
  • MW: 328.46
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Albendazole sulfoxide D3

Albendazole sulfoxide D3 is deuterium labeled Albendazole sulfoxide, which is a broad-spectrum anthelmintic.

  • CAS Number: 1448346-38-0
  • MF: C12H12D3N3O3S
  • MW: 284.349
  • Catalog: Parasite
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-870810

L-870810 is a potent HIV-1 IN chain transfer inhibitor with antiviral activity[1].

  • CAS Number: 410544-95-5
  • MF: C20H19FN4O4S
  • MW: 430.45
  • Catalog: HIV
  • Density: 1.471g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Voriconazole N-oxide

Voriconazole N-oxide (Voriconazole oxynitride) is a potent antifungal agent. Voriconazole N-oxide has phototoxicity and photocarcinogenicity. Voriconazole N-oxide does not sensitize keratinocytes to ultraviolet B (UVB)[1].

  • CAS Number: 618109-05-0
  • MF: C16H14F3N5O2
  • MW: 365.31
  • Catalog: Fungal
  • Density: 1.473g/cm3
  • Boiling Point: 569.513ºC at 760 mmHg
  • Melting Point: 75-77ºC
  • Flash Point: 298.231ºC

Emetine hydrochloride

Emetine hydrochloride, derived from the ipecac root, is a potent anti-protozoal and emetic agent. Emetine hydrochloride inhibits viral polymerases and inhibits Zika and Ebola virus infections. Emetine hydrochloride potently inhibits autophagy and has anti-malarial, anti-bacterial and anti-amoebic effect[1][2][3][4].

  • CAS Number: 14198-59-5
  • MF: C29H41ClN2O4
  • MW: 517.100
  • Catalog: Bacterial
  • Density: 1.17g/cm3
  • Boiling Point: 624.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 331.7ºC

Temporin K

Temporin K is an antimicrobial peptide against Legionella pneumophila[1].

  • CAS Number: 188713-80-6
  • MF: C54H99N13O12
  • MW: 1122.44
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(Z)-Fluoxastrobin

(Z)-Fluoxastrobin is fungicide agent. (Z)-Fluoxastrobin has excellent control of important seed and soilborne pathogens[1].

  • CAS Number: 887973-21-9
  • MF: C21H16ClFN4O5
  • MW: 458.83
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SCH-202676

SCH-202676 is an allosteric modulator of G protein-coupled receptors (GPCRs) and adenosine receptor (AR). SCH-202676 has antiviral activity and inhibits 3CLpro in a time-dependent manner with an IC50 value of 0.655 µM[1][2][3][4].

  • CAS Number: 70375-43-8
  • MF: C15H14BrN3S
  • MW: 348.26100
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: 392ºC at 760 mmHg
  • Melting Point: 240.0-240.8ºC(lit.)
  • Flash Point: 190.9ºC

4(1H)-Quinolinone, 1-methyl-2-(5Z)-5-undecen-1-yl-

4(1H)-Quinolinone, 1-methyl-2-(5Z)-5-undecen-1-yl- (compound 2) is a quinolone alkaloid that can be isolated from Cnidium. 4(1H)-Quinolinone, 1-methyl-2-(5Z)-5-undecen-1-yl- has methicillin-resistant Staphylococcus aureus (MRSA) activity, with MIC values of 32 μg/mL (ATCC 33591) and 16 μM/mL (ATCC 25923), respectively[1].

  • CAS Number: 182056-11-7
  • MF: C21H29NO
  • MW: 311.46
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lumefantrine

Lumefantrine is an antimalarial drug, used in combination with Artemether. The artemether-lumefantrine (AL) as the first- and second-line anti-malarial drugs.

  • CAS Number: 82186-77-4
  • MF: C30H32Cl3NO
  • MW: 528.940
  • Catalog: Parasite
  • Density: 1.252
  • Boiling Point: 642.5±55.0 °C at 760 mmHg
  • Melting Point: 129-131ºC
  • Flash Point: 342.3±31.5 °C

I2906

I2906 showed antimycobacterial and cytotoxic activity against mycobacterium tuberculosis.IC50 Value: Target: AntibacterialUnder in vitro conditions, I2906 showed excellent antimycobacterial activities and low cytotoxicity. In a murine model infected with M. tuberculosis H37Rv, the reductions on bacterial loads of both lungs and spleen were statistically significant (p < 0.05) between I2906-treated mice and untreated controls after 4 weeks. Further, the colony-forming unit counts in the lungs were dramatically lower (p < 0.05) than that of isoniazid-treated mice by the addition of I2906 after 8 weeks. Moreover, survival rate was increased by I2906 treatment. For multidrug-resistant strain infection, bacterial counts were reduced significantly in the lungs and spleen due to I2906 treatment in comparison with data from untreated controls (p < 0.05).

  • CAS Number: 331963-29-2
  • MF: C25H37N3O4
  • MW: 443.57900
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lefamulin acetate

Lefamulin acetate (BC-3781 acetate) is an orally active antibiotic for community-acquired bacterial pneumonia (CABP) treatment. Lefamulin acetate (BC-3781 acetate) is the first semi-synthetic pleuromutilin for systemic treatment of bacterial infections in humans. Lefamulin acetate (BC-3781 acetate) inhibits protein synthesis by binding to the peptidyl transferase center of the 50S bacterial ribosome, preventing the binding of transfer RNA for peptide transfer[1].

  • CAS Number: 1350636-82-6
  • MF: C30H49NO7S
  • MW: 567.78
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Obtusalin

Obtusalin is a triterpenoid found in R. dauricum for the first time and shows UV absorption at 210 nm. Obtusalin has some antibacterial activity[1][2].

  • CAS Number: 125164-64-9
  • MF: C30H50O2
  • MW: 442.73
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SARS-CoV-2-IN-57

SARS-CoV-2-IN-57 (compound (+)-R-26) is a potent inhibitor of SARS-CoV-2 (IC50: 80 nM). SARS-CoV-2-IN-57 has high affinity for Sigma Receptor with Kis of 13.6 nM (S1R) and 14.4 nM (S2R) respectively[1].

  • CAS Number: 1265624-68-7
  • MF: C23H37N3O
  • MW: 371.56
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Benzovindiflupyr

Benzovindiflupyr is a succinate dehydrogenase inhibitor (SDHI). Benzovindiflupyr has high activity against S. sclerotiorum. Benzovindiflupyr can be used for the research of sclerotinia stem rot[1].

  • CAS Number: 1072957-71-1
  • MF: C18H15Cl2F2N3O
  • MW: 398.23400
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 145 - 148°C (lit.)
  • Flash Point: N/A

Piperacillin

Piperacillin is kind of semisynthetic penicillins. Piperacillin has a broad spectrum of activity against Gram-positive and Gram-negative aerobic and anaerobic bacteria. Piperacillin has shown greater activity against β-lactamase-producing organisms than the other penicillins[1].

  • CAS Number: 61477-96-1
  • MF: C23H27N5O7S
  • MW: 517.555
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 139-140ºC
  • Flash Point: N/A

Fleroxacin

Fleroxacin is a broad-spectrum antimicrobial fluoroquinolone.Target: AntibacterialFleroxacin (Ro 23-6240; AM-833) is a new trifluorinated quinolone exhibiting high activity against a broad spectrum of gram-negative and gram-positive bacteria. Fleroxacin is characterized pharmacokinetically by a long elimination half-life (9 to 10 h) and high concentrations in plasma (e.g., maximum concentration of 2.3 micrograms/ml after an oral dose of 200 mg) [1]. Fleroxacin is effective against Haemophilus ducreyi in vitro. Fleroxacin, 200 or 400 mg as a single oral dose, is efficacious therapy for microbiologically proven chancroid in patients who do not have concurrent HIV-1 infection. Among HIV-1-infected men, a single dose of 200 or 400 mg of fleroxacin is inadequate therapy for chancroid [2, 3].

  • CAS Number: 79660-72-3
  • MF: C17H18F3N3O3
  • MW: 369.338
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 535.3±50.0 °C at 760 mmHg
  • Melting Point: 264-266°C
  • Flash Point: 277.6±30.1 °C

SDH-IN-5

SDH-IN-5 (compound 7d) is a potent succinate dehydrogenase (SDH) inhibitor, with an IC50 of 3.293 μM. SDH-IN-5 is also exhibits antifungal activity, with an EC50 of 0.046 μg/mL against R. solani. SDH-IN-5 could significantly inhibit the growth of R. solani in rice leaves with excellent protective and curative efficacies[1].

  • CAS Number: 2922765-95-3
  • MF: C16H19F2N3O2
  • MW: 323.34
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isobavachromene

Isobavachromene is an antibacterial agent[1].

  • CAS Number: 52801-22-6
  • MF: C20H18O4
  • MW: 322.354
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 535.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 193.7±23.6 °C

Meleagrin

Meleagrin is a roquefortine C-derived alkaloid produced by fungi of the genus Penicillium and has antimicrobial and anti-proliferative activities. Meleagrin is a class of FabI inhibitor. Meleagrin is a lead c-Met inhibitory entity useful for the control of c-Met-dependent metastatic and invasive breast malignancies[1][2][3].

  • CAS Number: 71751-77-4
  • MF: C23H23N5O4
  • MW: 433.46000
  • Catalog: Bacterial
  • Density: 1.47g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

toltrazuril

Toltrazuril is an antiprotozoal agent that acts upon Coccidia parasites.Target: AntiparasiticToltrazuril is an antiprotozoal agent that acts upon Coccidia parasites. Toltrazuril induces changes in the fine structure of coccidian development stages that are mainly due to a swelling of the endoplasmatic reticulum and of the Golgi apparatus and to abnormalities in the peri-nuclear space, disturbance in nuclear division. Treated with toltrazuril showed a considerably lower mean opg to that of group C (5.78 opg versus 144.62 opg) (p < 0.05) and a FOCR of 97.7 %. The higher efficacy (99.23 %) was observed at 15 days post treatment; however, the average efficacy of the drug remained extremely high (> 90 %) for all the study.

  • CAS Number: 69004-03-1
  • MF: C18H14F3N3O4S
  • MW: 425.382
  • Catalog: Parasite
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 194-196°C
  • Flash Point: N/A

cyclic-1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine

Cyclic HPMPC is a potent antiviral agent. Cyclic HPMPC can increase arterial oxygen saturation levels in lethal vaccinia virus (IHD strain)-infected mice. Cyclic HPMPC improves the outcome of congenital guinea pig cytomegalovirus (GPCMV) infection and decreases viral replication in guinea pig model[1][2].

  • CAS Number: 127757-45-3
  • MF: C8H12N3O5P
  • MW: 261.17200
  • Catalog: CMV
  • Density: 1.83g/cm3
  • Boiling Point: 495.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 253.5ºC

T326

A potent and selective HDAC3 inhibitor with IC50 of 0.26 uM, with no activity against HDAC1/4/6/8; induces dose-dependent selective increase of NF-κB acetylation in human colon cancer HCT116 cells, induces growth inhibition of cancer cells, and activates HIV gene expression in latent HIV-infected cells; shows promising activity for anticancer and antiviral benefits.

  • CAS Number: 1451042-19-5
  • MF: C21H18N6O3S
  • MW: 434.474
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isoeugenol,mixture of cis and trans

Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1].

  • CAS Number: 97-54-1
  • MF: C10H12O2
  • MW: 164.201
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 266.6±20.0 °C at 760 mmHg
  • Melting Point: -10 °C
  • Flash Point: 122.9±6.7 °C

Ganciclovir sodium

Ganciclovir (BW 759) sodium, a nucleoside analogue and an orally active antiviral agent, shows activity against CMV. Ganciclovir sodium also has activity in vitro against members of the herpes group and some other DNA viruses. Ganciclovir sodium inhibits the in vitro replication of human herpes viruses (HSV 1 and 2, CMV) and adenovirus serotypes 1, 2, 4, 6, 8, 10, 19, 22 and 28. Ganciclovir sodium has an IC50 of 5.2 μM for feline herpesvirus type-1 (FHV-1)[1][2][3].

  • CAS Number: 107910-75-8
  • MF: C9H12N5NaO4
  • MW: 277.212
  • Catalog: CMV
  • Density: 1.81g/cm3
  • Boiling Point: 675ºC at 760mmHg
  • Melting Point: 250ºC (decomposition)
  • Flash Point: 362ºC