ABX464 - Moligand™, 10mM in DMSO , Cap binding complex modulator, CAS No.1258453-75-6, Cap binding complex modulator

CAS: 1258453-75-6 Cat. No.: A421088 Formula: C₁₆H₁₀ClF₃N₂O Peso molecolare: 338.71 Numero EC: 824-937-7

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

26RU378B9V | HY-100870 | UNII-26RU378B9V | Abx 464 | OBEFAZIMOD [INN] | ABX464(ABX-464;ABX 464) | B1833 | WHO 12112 | 1258453-75-6 | S0076 | SB18690 | Z3041496912 | BS-14770 | SPL-464 | 8-Chloro-N-(4-(trifluoromethoxy)phenyl)quinolin-2-amine | ABX464 | AB

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

ABX464 ABX464 (SPL-464) is a novel anti-HIV molecule that inhibits HIV-1 replication in stimulated peripheral blood mononuclear cells (PBMCs) from 5 different donors with IC50 ranging between 0.1 μM and 0.5 μM.

Targets

HIV-1 (Cell-free assay); HIV-1 (Cell-free assay) 0.1 μM; 0.5 μM

Specifications

Sinonimi

26RU378B9V | HY-100870 | UNII-26RU378B9V | Abx 464 | OBEFAZIMOD [INN] | ABX464(ABX-464;ABX 464) | B1833 | WHO 12112 | 1258453-75-6 | S0076 | SB18690 | Z3041496912 | BS-14770 | SPL-464 | 8-Chloro-N-(4-(trifluoromethoxy)phenyl)quinolin-2-amine | ABX464 | AB

Specifiche e purezza

Moligand™, 10mM in DMSO

Meccanismi biochimici e fisiologici

ABX464 (SPL-464) is a novel anti-HIV molecule that inhibits HIV-1 replication in stimulated peripheral blood mononuclear cells (PBMCs) from 5 different donors with IC50 ranging between 0.1 μM and 0.5 μM.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

MODULATOR

Meccanismo d'azione

Cap binding complex modulator

Proprietà del prodotto

• ALogP: 6.889
• hba_count: 2
• Conteggio HBD: 1
• Legame rotabile: 4

Nomi e identificatori

• Pubchem Sid: 528763010
• Sorrisi canonici: C1=CC2=C(C(=C1)Cl)N=C(C=C2)NC3=CC=C(C=C3)OC(F)(F)F
• IUPAC Name: 8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
• InChIKey: OZOGDCZJYVSUBR-UHFFFAOYSA-N
• INCHI: 1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)
• Isomeri SMILES: C1=CC2=C(C(=C1)Cl)N=C(C=C2)NC3=CC=C(C=C3)OC(F)(F)F
• Peso molecolare: 338.71
• Reaxy-Rn: 20975254
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20975254&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Chloroquinolines Aniline and substituted anilines Phenoxy compounds Phenol ethers Aminopyridines and derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Trihalomethanes Azacyclic compounds Secondary amines Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organochlorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Haloquinoline - Chloroquinoline - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Aminopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Trihalomethane - Secondary amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

HEK293 (82097 Activities)

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Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 68
• DMSO (mM) Solubilità massima: 200.761713560273
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 338.710 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 338.043 Da
• Monoisotopic Mass: 338.043 Da
• Topological Polar Surface Area: 34.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 388.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1