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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EGFR JAK Pim STAT
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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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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 >
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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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Terbinafine

Terbinafine (TDT 067) is an antifungal medication used to treat fungal infections. It is a potent non-competitive inhibitor of squalene epoxidase from Candida with a Ki of 30 nM.

  • CAS Number: 91161-71-6
  • MF: C21H25N
  • MW: 291.430
  • Catalog: Fungal
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 417.9±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 183.7±22.3 °C

Sulfaquinoxaline sodium salt

Sulfaquinoxaline sodium salt is an antibiotic which has activity against a broad spectrum of Gram-negative and Gram-positive bacteria.

  • CAS Number: 967-80-6
  • MF: C14H11N4NaO2S
  • MW: 322.318
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 551.1ºC at 760 mmHg
  • Melting Point: >296ºC (dec.)
  • Flash Point: 287.1ºC

Chlorprothixene hydrochloride

Chlorprothixene hydrochloride is a dopamine and histamine receptors antagonist with Kis of 18 nM, 2.96 nM, 4.56 nM, 9 nM and 3.75 nM for hD1, hD2, hD3, hD5 and hH1 receptors, respectively. Antipsychotic activity[1].

  • CAS Number: 6469-93-8
  • MF: C18H19Cl2NS
  • MW: 352.32100
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 461.8ºC at 760 mmHg
  • Melting Point: 221ºC
  • Flash Point: 233.1ºC

Bikaverin

Bikaverin (Lycopersin) is a reddish pigment produced by different fungal species. Bikaverin shows antibiotic properties against certain protozoa and fungi[1].

  • CAS Number: 33390-21-5
  • MF: C20H14O8
  • MW: 382.32000
  • Catalog: Fungal
  • Density: 1.61g/cm3
  • Boiling Point: 719.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 263.3ºC

Quorum Sensing-IN-3

QS-IN-1 (Compound 3a) is a quorum sensing inhibitor against pseudomonas aeruginosa. QS-IN-1 inhibits biofilm formation[1].

  • CAS Number: 5005-14-1
  • MF: C14H10N2OS
  • MW: 254.31
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rivabazumab

Rivabazumab is a recombinant antibody against Pseudomonas aeruginosa pcrV[1].

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

Cichoriin

Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in treating severe COVID-19[1].

  • CAS Number: 531-58-8
  • MF: C15H16O9
  • MW: 340.28
  • Catalog: SARS-CoV
  • Density: 1.679±0.06 g/cm3(Predicted)
  • Boiling Point: 697.7±55.0 °C(Predicted)
  • Melting Point: 213-215 °C
  • Flash Point: N/A

Bedaquiline fumarate

Bedaquiline fumarate, a diarylquinoline antibiotic that targets ATP synthase, is effective for the treatment of Mycobacterium tuberculosis infections.

  • CAS Number: 845533-86-0
  • MF: C36H35BrN2O6
  • MW: 671.577
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Emtricitabine

Emtricitabine is a nucleoside reverse transcriptase inhibitor (NRTI) with an EC50 of 0.01 µM in PBMC cell. It is an antiviral drug for the treatment of HIV infection.

  • CAS Number: 143491-57-0
  • MF: C8H10FN3O3S
  • MW: 247.247
  • Catalog: HIV
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 443.3±55.0 °C at 760 mmHg
  • Melting Point: 136-140°C
  • Flash Point: 221.9±31.5 °C

Antiviral agent 34

Antiviral agent 34 is a potent and orally active antiviral agent against influenza A and B subtypes with an EC50 value of 0.8 nM for H1N1 proliferation. Antiviral agent 34 derivatives inhibited influenza virus proliferation by targeting influenza virus RNA-dependent RNA polymerase. Antiviral agent 34 can be used for influenza virus research[1].

  • CAS Number: 945152-88-5
  • MF: C29H33N3O2S
  • MW: 487.66
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Desethyl amodiaquine

N-Desethyl amodiaquine is the major biologically active metabolite of Amodiaquine. N-Desethyl amodiaquine is an antiparasitic agent. IC50 values for strains V1/S and 3D7 are 97 nM and 25 nM, respectively[1].

  • CAS Number: 79352-78-6
  • MF: C18H18ClN3O
  • MW: 327.81
  • Catalog: Parasite
  • Density: 1.304g/cm3
  • Boiling Point: 477.8ºC at 760 mmHg
  • Melting Point: 168-174ºC
  • Flash Point: 242.7ºC

macrocarpal C

Macrocarpal C can be isolated from the 95 % ethanol extract of fresh leaves of E. globulus. Macrocarpal C inhibits the growth of T. mentagrophytes via an increase in the permeability of the fungal membrane. Macrocarpal C increases the production of intracellular ROS and? induces apoptosis as a consequence of DNA fragmentation[1].

  • CAS Number: 142628-53-3
  • MF: C28H38O5
  • MW: 454.60
  • Catalog: Fungal
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 503.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 272.6±26.6 °C

3-Methoxy-1,5,8-trihydroxyxanthone

Bellidifolin is a xanthone isolated from the stems of Swertia punicea, with hepatoprotective, hypoglycemic, anti-oxidation, anti-inflammatory and antitumor activities[1][2][3]. Bellidifolin also acts as a viral protein R (Vpr) inhibitor[4].

  • CAS Number: 2798-25-6
  • MF: C14H10O6
  • MW: 274.226
  • Catalog: HIV
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 580.2±50.0 °C at 760 mmHg
  • Melting Point: 265-267ºC
  • Flash Point: 228.0±23.6 °C

Tripterifordin

Tripterifordin, isolated from the roots of Tripterygium wilfordii, possesses significant anti-HIV replication activities in H9 lymphocyte cells with an EC50 value of 3100 nM, respectively[1].

  • CAS Number: 139122-81-9
  • MF: C20H30O3
  • MW: 318.450
  • Catalog: HIV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 485.1±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 198.6±21.5 °C

SAMT-247

SAMT-247 is a microbicide that selectively inactivate the viral nucleocapsid protein NCp7, causing zinc ejection and preventing RNA encapsidation. SAMT-247 shows good antiviral activity[1][2].

  • CAS Number: 850715-59-2
  • MF: C12H14N2O3S
  • MW: 266.32
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fomivirsen

Fomivirsen (ISIS-2922 free base) is an antisense 21 mer phosphorothioate oligonucleotide. Fomivirsen is an antiviral agent that is used cytomegalovirus retinitis (CMV) research, incluiding in AIDs. Fomivirsen binds to and degrades the mRNAs encoding CMV immediate-early 2 protein, thus inhibiting virus proliferation[1][2].

  • CAS Number: 144245-52-3
  • MF: C204H263N63O114P20S20
  • MW: 6682.40000
  • Catalog: CMV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

cefaclor

Cefaclor, is a second-generation cephalosporin antibiotic used to treat certain infections caused by bacteria such as pneumonia and infections of the ear, lung, skin, throat, and urinary tract.Target: AntibacterialCefaclor belongs to the family of antibiotics known as the cephalosporins (cefalosporins). The cephalosporins are broad-spectrum antibiotics that are used for the treatment of septicaemia, pneumonia, meningitis, biliary tract infections, peritonitis, and urinary tract infections. The pharmacology of the cephalosporins is similar to that of the penicillins, excretion being principally renal. Cephalosporins penetrate the cerebrospinal fluid poorly unless the meninges are inflamed; cefotaxime is a more suitable cephalosporin than cefaclor for infections of the central nervous system, e.g. meningitis. Cefaclor is active against many bacteria, including both Gram-negative and Gram-positive organisms.Cefaclor is frequently used against bacteria responsible for causing skin infections, otitis media, urinary tract infections, and others. The following represents MIC susceptibility data for a few medically significant microorganisms. Cefaclor is passed into the breast milk in small quantities, but is generally accepted to be safe to take during breastfeeding. Cefaclor is not known to be harmful in pregnancy. Cefaclor has also been reported to cause a serum sickness-like reaction in children.

  • CAS Number: 53994-73-3
  • MF: C15H14ClN3O4S
  • MW: 367.807
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 713.4±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 385.2±32.9 °C

Coenzyme F420-1

Coenzyme F420-1 (Factor F420-1), a deazaflavin derivative, acts as an important hydride acceptor/donor in the central methanogenic pathway[1].

  • CAS Number: 37333-48-5
  • MF: C16H17N3O7
  • MW: 363.32200
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Maraviroc-d6

Maraviroc-d6 (UK-427857-d6) is the deuterium labeled Maraviroc. Maraviroc (UK-427857) is a selective CCR5 antagonist with activity against human HIV[1][2].

  • CAS Number: 1033699-22-7
  • MF: C29H35D6F2N5O
  • MW: 519.70300
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Naftifine-d3 (hydrochloride)

Naftifine-d3 hydrochloride is the deuterium labeled Naftifine hydrochloride. Naftifine hydrochloride is an antibiotic. Naftifine hydrochloride has antifungal activity against dermatophytes, aspergilli, Sporothrix schenckii, and yeasts of the genus Candida. Naftifine hydrochloride can be used for the research of superficial dermatomycoses inhibition[1].

  • CAS Number: 1246833-81-7
  • MF: C21H19D3ClN
  • MW: 326.878
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ledol

Ledol ((+)-Ledol) is an antifungal agent that can be isolated from the essential oil fractions of Rhododendron tomentosum. Ledol is also the expectorant and antitussive agent, which is simultaneously responsible for adverse reactions such as dizziness, nausea and vomiting[1].

  • CAS Number: 577-27-5
  • MF: C15H26O
  • MW: 222.36600
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

M56-S2 iodide

M56-S2 iodide is a SARS-CoV-2 Mpro inhibitor (IC50=4.0 μM). M56-S2 iodide showed good oral bioavailability and low toxicity in ADMET prediction. M56-S2 iodide has good drug potential and can be used in antiviral (such as SARS-CoV-2) research[1].

  • CAS Number: 1101867-17-7
  • MF: C17H18IN3O2
  • MW: 423.25
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

sulfathiazole-d4

Sulfathiazole D4 is a deuterium labeled Sulfathiazole. Sulfathiazole, an organosulfur compound, is used as a short-acting sulfonamide antibiotic[1].

  • CAS Number: 1020719-89-4
  • MF: C9H5D4N3O2S2
  • MW: 259.341
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 479.5±47.0 °C at 760 mmHg
  • Melting Point: 172-174°C
  • Flash Point: 243.8±29.3 °C

Nystatin A3

Nystatin A3, produced by Streptomyces noursei, a biologically active component of nystatin complex. Antibiotic activity[1]

  • CAS Number: 62997-67-5
  • MF: C53H85NO20
  • MW: 1056.237
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 1206.4±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 683.4±34.3 °C

Bifonazole

Bifonazole is an imidazole antifungal drug.Target: AntifungalBifonazole, a new broad-spectrum antimycotic, interferes with sterol biosynthesis. In dermatophytes bifonazole additionally inhibits directly HMG-CoA-reductase. bifonazole possesses a sequential mode of action, namely inhibition of cytochrome P450-dependent C14-demethylation of sterols and direct inhibition of HMG-CoA-reductase. In vitro bifonazole shows a strongly pH-dependent efficacy. The uptake kinetics of bifonazole have been measured with different pathogens [1]. Bifonazole additionally leads to a generally decreased rate of sterol biosynthesis as compared to clotrimazole, due to a direct inhibition of microsomal HMG-CoA-reductase. The additional fungicidal effects of bifonazole are considered to originate from a sequential action by inhibition of HMG-CoA-reductase and of cytochrome P450 [2]. bifonazole were affected by choice of medium with Kimmig's agar generally giving the lowest MIC's. Bifonazole MICs were shown to vary with pH (maximal activity at pH 6 . 5) with selected yeasts when tested on Kimmig's agar [3].

  • CAS Number: 60628-96-8
  • MF: C22H18N2
  • MW: 310.392
  • Catalog: Fungal
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 491.7±24.0 °C at 760 mmHg
  • Melting Point: 142℃
  • Flash Point: 251.2±22.9 °C

Ecabet

Ecabet sodium (TA-2711) is currently applied to some clinical gastrointestinal disease by inhibiting the ROS production and improving Helicobacter pylori eradication[1]. Ecabet sodium reduces apoptosis[2]

  • CAS Number: 33159-27-2
  • MF: C20H28O5S
  • MW: 380.49800
  • Catalog: Bacterial
  • Density: 1.241 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cloxacillin Sodium

Cloxacillin sodium monohydrate is a semi-synthetic antibiotic that is a chlorinated derivative of oxacillin.Target: AntibacterialCloxacillin sodium (Cloxacap) is a sodium salt of cloxacillin that is a penicillinase-resistant, acid resistant, semi-synthetic penicillin. Cloxacillin sodium exerts a bactericidal action against susceptible microorganisms during the stage of active multiplication. Cloxacillin sodium acts through the inhibition of biosynthesis of cell wall mucopeptides. Cloxacillin sodium is readily absorbed following i.m. administration and rapidly reaches therapeutically effective blood levels. Serum levels are approximately proportional to dosage. Peak plasma concentrations of 15 ug/ml have been observed 30 minutes after an i.m. injection of cloxacillin (Cloxapen, Cloxacap and Orbenin) 500 mg; plasma concentrations may be doubled by administration of a doubled dose. At the end of a 3-hour i.v. infusion of cloxacillin (Cloxapen, Cloxacap and Orbenin) 250 mg given to normal subjects, its plasma concentrations were 15 ug/ml. After 2 hours, plasma concentrations were 0.6 ug/ml [1].

  • CAS Number: 7081-44-9
  • MF: C19H19ClN3NaO6S
  • MW: 475.88
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 689.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 370.9ºC

Antitubercular agent-31

Antitubercular agent-31 (Compound 2) is an antitubercular agent with an MIC of 0.03 μM against M. tuberculosis H37Rv. Antitubercular agent-31 also inhibits DprE1 with an IC50 of 1.1 μM[1].

  • CAS Number: 2764818-29-1
  • MF: C20H24F2N4O5S2
  • MW: 502.56
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vibunazole

Vibunazole is a new antifungal azole.

  • CAS Number: 80456-55-9
  • MF: C15H20ClN3O2
  • MW: 309.79100
  • Catalog: Fungal
  • Density: 1.19g/cm3
  • Boiling Point: 486.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 247.9ºC

BMS-663068

Fostemsavir (BMS-663068) is the phosphonooxymethyl prodrug of BMS-626529. Fostemsavir (BMS-663068) is a novel attachment inhibitor that targets HIV-1 gp120 and prevents its binding to CD4+ T cells.

  • CAS Number: 864953-29-7
  • MF: C25H26N7O8P
  • MW: 583.490
  • Catalog: HIV
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 904.1±75.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 500.6±37.1 °C