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 Formule: C₁₆H₁₀ClF₃N₂O Poids moléculaire: 338.71 Numéro CE: 824-937-7

QUALITÉ & PURETÉ Moligand™, 10mM in DMSO

Synonyms

Abx 464|OBEFAZIMOD [INN]|ABX464(ABX-464;ABX 464)|SPL-464|8-Chloro-N-(4-(trifluoromethoxy)phenyl)quinolin-2-amine|ABX464|ABX-464|2-Quinolinamine, 8-chloro-N-(4-(trifluoromethoxy)phenyl)-|ABX 464 [WHO-DD]|8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine|obefazimod

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

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

Spécifications

Synonymes

Abx 464 | OBEFAZIMOD [INN] | ABX464(ABX-464;ABX 464) | SPL-464 | 8-Chloro-N-(4-(trifluoromethoxy)phenyl)quinolin-2-amine | ABX464 | ABX-464 | 2-Quinolinamine, 8-chloro-N-(4-(trifluoromethoxy)phenyl)- | ABX 464 [WHO-DD] | 8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine | obefazimod

Spécifications et pureté

Moligand™, 10mM in DMSO

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

MODULATOR

Mécanisme d'action

Cap binding complex modulator

Propriétés du produit

ALogP

6.889

hba_count

2

Nombre de HBD

1

Liaison rotative

4

Noms et identifiants

Pubchem Sid

528763010

Sourires canoniques

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)

Isomères SMILES

C1=CC2=C(C(=C1)Cl)N=C(C=C2)NC3=CC=C(C=C3)OC(F)(F)F

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Klebsiella pneumoniae (43867 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Acinetobacter baumannii (41033 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cryptococcus neoformans (21258 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 68
• DMSO (mM) Solubilité maximale: 200.761713560273
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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