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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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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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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PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
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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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VD/VDR
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Irloxacin

Irloxacin (Pirfloxacin) is a quinolone antibacterial agent. Irloxacin shows greater activity with an acid pH. Irloxacin has a good in vitro antimicrobial spectrum against both gram-positive and gram-negative bacteria. Orally active[1].

  • CAS Number: 91524-15-1
  • MF: C16H13FN2O3
  • MW: 300.28400
  • Catalog: Bacterial
  • Density: 1.36g/cm3
  • Boiling Point: 495.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 253.7ºC

2,4-diacetylphloroglucinol

2,4-Diacetylphloroglucinol, produced by some isolates of the beneficial bacterium Pseudomonas fluorescens, is a potent antibiotic. 2,4-Diacetylphloroglucinol is active against numerous organisms, including plants, fungi, viruses, bacteria, and nematodes[1].

  • CAS Number: 2161-86-6
  • MF: C10H10O5
  • MW: 210.18300
  • Catalog: Bacterial
  • Density: 1.422g/cm3
  • Boiling Point: 374.7ºC at 760mmHg
  • Melting Point: 164ºC
  • Flash Point: 194.6ºC

Sulbactam

Sulbactam(Betamaze) is an irreversible β-lactamase inhibitor.Target: β-lactamase; AntibacterialSulbactam is a mechanism-based inhibitor of beta-lactamase enzymes used in clinical practice. sulbactam was the antimicrobial agent responsible for the killing of these organisms [1]. sulbactam may prove effective for non-life-threatening A. baumannii infections. Its role in the treatment of severe infections is unknown. However, the current formulation of sulbactam alone may allow its use at higher doses and provide new potential synergic combinations, particularly for those infections by A. baumannii resistant to imipenem [2].

  • CAS Number: 68373-14-8
  • MF: C8H11NO5S
  • MW: 233.242
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 567.7±50.0 °C at 760 mmHg
  • Melting Point: 146-151ºC
  • Flash Point: 297.1±30.1 °C

Desacetylcephapirin sodium

Desacetylcephapirin sodium (Deacetylcephapirin sodium) is an active metabolite of Cephapirin (HY-A0153A). Desacetylcephapirin sodium has antimicrobial against S. aureus and coagulase-negative staphylococci mastitis pathogen[1][2].

  • CAS Number: 104557-24-6
  • MF: C15H14N3NaO5S2
  • MW: 403.40900
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Benzoxazolinone

2-Benzoxazolinone is an anti-leishmanial agent with an LC50 of 40 μg/mL against L. donovani[1]. A building block in chemical synthesis. 1,3-Benzoxazol-2(3H)-one derivatives have antimicrobial activity against a selection of Gram-positive, Gram-negative bacteria and yeasts[3]. Derivatives as anti-quorum sensing agent[4].

  • CAS Number: 59-49-4
  • MF: C7H5NO2
  • MW: 135.120
  • Catalog: Parasite
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 299ºC at 760 mmHg
  • Melting Point: 137-139 °C(lit.)
  • Flash Point: 160 °C

Cap-dependent endonuclease-IN-10

Cap-dependent endonuclease-IN-10 is a potent inhibitor of cap-dependent endonuclease (CEN). Not only can Cap-dependent endonuclease-IN-10 inhibit influenza virus well, but also has lower cytotoxicity, better in vivo pharmacokinetic and in vivo pharmacodynamic properties, and better hepatic microsomal stability. Cap-dependent endonuclease-IN-10 has the potential for the research of viral infections (including influenza A, influenza B and influenza C) (extracted from patent WO2021129799A1, compound 1-1)[1].

  • CAS Number: 2663989-04-4
  • MF: C25H18F2N4O5S
  • MW: 524.50
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dalbavancin-d6

Dalbavancin-d6 is the deuterium labeled Dalbavancin[1]. Dalbavancin (MDL-63397) is a semisynthetic lipoglycopeptide antibiotic with potent bactericidal activity against Gram-positive bacteria. Dalbavancin inhibits Staphylococcus aureus and Bacillus anthracis with MIC90s of 0.06 μg/mL and 0.25 μg/mL, respectively[2][3].

  • CAS Number: 1126461-54-8
  • MF: C88H94D6Cl2N10O28
  • MW: 1822.73
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfadiazine D4

Sulfadiazine D4 is a deuterium labeled Sulfadiazine. Sulfadiazine is a sulfonamide antibiotic used for the treatment of toxoplasmosis[1][2].

  • CAS Number: 1020719-78-1
  • MF: C10H6D4N4O2S
  • MW: 254.30200
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 255-256°C (dec.)
  • Flash Point: N/A

AN-2690

Tavaborole (AN-2690) is an antifungal agent with activity against Trichophyton species, in a topical solution formulation for the potential treatment of onychomycosis.

  • CAS Number: 174671-46-6
  • MF: C7H6BFO2
  • MW: 151.931
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 230.8±50.0 °C at 760 mmHg
  • Melting Point: 120-122 °C
  • Flash Point: 93.4±30.1 °C

Cyclo(-Trp-Trp)

Cyclo(L-Trp-L-Trp) is an antibiotic, and shows antimicrobial activity. Cyclo(L-Trp-L-Trp) can inhibit A. baumannii, as well as Candida albicans, Bacillus subtilis, Micrococcus luteus, Saccharomyces cerevisiae, Aspergillus niger, Staphylococcus aureus. Cyclo(L-Trp-L-Trp) can be used in microbial infection research[1].

  • CAS Number: 20829-55-4
  • MF: C22H20N4O2
  • MW: 372.420
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 813.4±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 445.7±32.9 °C

Ciprofloxacin Lactate Soluble

Ciprofloxacin (Bay-09867) lactate is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin lactate induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin lactate has anti-proliferative activity and induces apoptosis. Ciprofloxacin lactate is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4].

  • CAS Number: 97867-33-9
  • MF: C20H24FN3O6
  • MW: 403.404
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 656.4±55.0 °C at 760 mmHg
  • Melting Point: 255-257ºC
  • Flash Point: 350.8±31.5 °C

ACHN-975

ACHN-975 is a selective LpxC inhibitor, exhibiting a subnanomolar LpxC inhibitory activity and low MIC values (≤1 μg/mL) against a wide range of Gram-negative bacteria. LpxC is highly conserved in Gram-negative bacteria and catalyzes the first committed step of lipid A biosynthesis[1]. LpxC is the bacterial enzyme Zinc-dependent metalloamidase UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine deacetylase[1].

  • CAS Number: 1410809-36-7
  • MF: C20H23N3O4
  • MW: 369.41
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Emodepside

Emodepside (PF 1022-221) is a cyclooctadepsipeptide with broad-spectrum anthelmintic activity.

  • CAS Number: 155030-63-0
  • MF: C60H90N6O14
  • MW: 1119.39000
  • Catalog: Parasite
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tigecycline hydrate

Tigecycline hydrate is a broad spectrum glycylcycline antibiotic. Tigecycline hydrate is bacteriostatic, that inhibits protein synthesis by binding to the 30S ribosomal subunit of bacteria and thereby blocking entry of Aminoacyl-tRNA into the A site of the ribosome during prokaryotic translation. Tigecycline hydrate is active against resistant strains of Gram-positive and Gram-negative bacteria.

  • CAS Number: 1229002-07-6
  • MF: C29H39N5O8.xH2O
  • MW: 603.66400
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV-1 inhibitor-57

HIV-1 inhibitor-57 (Compound 12g) is a HIV inhibitor. HIV-1 inhibitor-57 is active against wild-type and five prevalent NNRTI-resistant HIV-1 strains with EC50 values ranging from 0.024 to 0.0010 μM. HIV-1 inhibitor-57 forms additional interactions with residues around the binding site in HIV-1 RT[1].

  • CAS Number: 2745197-24-2
  • MF: C25H24FN5O3S
  • MW: 493.55
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Linderene

Lindenenol is isolated from Radix linderae, with antioxidant and antibacterial activities[1].

  • CAS Number: 26146-27-0
  • MF: C15H18O2
  • MW: 230.302
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 265.4±30.0 °C at 760 mmHg
  • Melting Point: 145-147℃ (methanol )
  • Flash Point: 114.3±24.6 °C

Sanfetrinem sodium

Sanfetrinem (GV104326) sodium is a beta-lactamase-stable antibiotic. Sanfetrinem sodium has broad-spectrum activity against gram-positive and gram-negative bacteria[1].

  • CAS Number: 141611-76-9
  • MF: C14H18NNaO5
  • MW: 303.29
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(3β)-3-Hydroxyolean-12-en-28-al

Oleanolic aldehyde is an antimicrobial compound used to inhibit oral bacteria. Oleanolic aldehyde inhibits Streptococcus mutans and Porphyromonas gingivalis, which are associated with dental caries and periodontal disease, with minimum inhibitory concentrations (MICs) of 488 μg/mL and 250 μg/mL, respectively[1].

  • CAS Number: 17020-22-3
  • MF: C30H48O2
  • MW: 440.701
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 516.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 218.4±22.7 °C

GRL-0496

GRL-0496 is a potent chloropyridyl ester-derived SARS-CoV 3CLpro inhibitor, with an IC50 of 30 nM in both enzyme inhibitory and antiviral assays. GRL-0496 shows SARS-CoV antiviral activity, with an EC50 of 6.9 μM[1].

  • CAS Number: 1087243-14-8
  • MF: C14H9ClN2O2
  • MW: 272.69
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Braco-19

Braco-19 is a potent telomerase/telomere inhibitor, preventing the capping and catalytic action of telomerase. Braco-19 acts as G-quadruplex (GQ) binding ligand, stabilizing G-quadruplexes formation at the 3V telomeric DNA overhang and produce rapid senescence or selective cell death. Braco-19 is also a HAdV virus replication inhibitor[1][2].

  • CAS Number: 351351-75-2
  • MF: C35H43N7O2
  • MW: 593.76200
  • Catalog: CMV
  • Density: 1.275g/cm3
  • Boiling Point: 854.95ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 470.857ºC

HBF-0259

HBF-0259 is a potent and selective inhibitor of hepatitis B virus (HBV) surface antigen (HBsAg) secretion, with an EC50 of 1.5 μM in HepG2.2.15 cells. HBF-0259 has no effect on HBV DNA synthesis[1][2].

  • CAS Number: 957011-15-3
  • MF: C16H12Cl2FN5
  • MW: 364.20
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ivermectin B1a

Ivermectin B1a, a derivative of Avermectin B1a (HY-15308), is a main component of Ivermectin (HY-15310)[1]. Ivermectin (MK-933) is a broad-spectrum anti-parasite agent. Ivermectin is a candidate therapeutic against SARS-CoV-2/COVID-19[2].

  • CAS Number: 71827-03-7
  • MF: C48H74O14
  • MW: 875.09300
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TAK-779

TAK-779 is a potent and selective nonpeptide antagonist of CCR5 and CXCR3, with a Ki of 1.1 nM for CCR5, and effectively and selectively inhibits R5 HIV-1, with EC50 and EC90 of 1.2 nM and 5.7 nM, respectively, in MAGI-CCR5 cells.

  • CAS Number: 229005-80-5
  • MF: C33H39ClN2O2
  • MW: 531.128
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Imidazolidinyl urea

Imidazolidinyl urea is an antimicrobial preservative used in cosmetics, acts as a formaldehyde releaser.

  • CAS Number: 39236-46-9
  • MF: C11H16N8O8
  • MW: 388.293
  • Catalog: Bacterial
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

alpha-Terpinene

α-Terpinene (Terpilene) is a monoterpene found in the essential oils of a large variety of foods and aromatic plants such as Mentha piperita. α-Terpinene is active against Trypanosoma evansi and has the potential for trypanosomosis treatment. α-Terpinene has antioxidant and antifungal properties[1][2][3][4].

  • CAS Number: 99-86-5
  • MF: C10H16
  • MW: 136.234
  • Catalog: Fungal
  • Density: 0.8±0.1 g/cm3
  • Boiling Point: 174.1±0.0 °C at 760 mmHg
  • Melting Point: -59.03°C (estimate)
  • Flash Point: 46.1±0.0 °C

Antifungal agent 24

Antifungal agent 24 (Compound 6) is an antifungal agent against Candida albicans with a MIC value of 0.03 μg/mL[1].

  • CAS Number: 2566522-60-7
  • MF: C24H18F2N4O
  • MW: 416.42
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HBV Seq1 aa:18-27

HBV Seq1 aa:18-27 is a hepatitis B virus (HBV) core antigen 18-27 peptide fragment[1].

  • CAS Number: 147820-47-1
  • MF: C58H78N10O15
  • MW: 1155.30
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Avarofloxacin

Avarofloxacin (JNJ-Q2) is a broad-spectrum fluoroquinolone antibacterial drug being developed for the treatment of acute bacterial skin and skin-structure infections and community-acquired pneumonia[1]. Avarofloxacin (JNJ-Q2) is an aminoethylidenylpiperidine fluoroquinolone that demonstrates antibacterial effect against numerous Gram-positive bacteria with a mean 0.12 mg/L MIC90 value[2]. Avarofloxacin (JNJ-Q2) has potential for treatment of methicillin-resistant Staphylococcus aureus (MRSA) infections[3].

  • CAS Number: 878592-87-1
  • MF: C21H23F2N3O4
  • MW: 419.42200
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antibacterial agent 31

Antibacterial agent 31 shows the antibacterial activity against rice bacterial leaf streak.

  • CAS Number: 2719842-14-3
  • MF: C13H12Cl2N2O3S
  • MW: 347.22
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mafenide Acetate

Mafenide Acetate is a sulfonamide-type medication.Target: OthersMafenide is a sulfonamide-type medication. Mafenide works by reducing the bacterial population present in the avascular tissues of burns and permits spontaneous healing of deep partial-thickness burns. It is used to treat severe burns. It is used topically as an adjunctive therapy for second- and third-degree burns. It is bacteriostatic against many gram-positive and gram-negative organisms, including Pseudomonas aeruginosa. Some sources state that mafenide is more appropriate for non-facial burns, while chloramphenicol/prednisolone or bacitracin are more appropriate for facial burns [1-3].

  • CAS Number: 13009-99-9
  • MF: C9H14N2O4S
  • MW: 246.283
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 382ºC at 760 mmHg
  • Melting Point: 151-152ºC
  • Flash Point: 184.8ºC