Bictegravir Sodium - 2mM in DMSO , Human immunodeficiency virus type 1 integrase inhibitor, CAS No.1807988-02-8, Human immunodeficiency virus type 1 integrase inhibitor

CAS: 1807988-02-8 Cat. No.: B580314 Formula: C₂₁H₁₈F₃N₃O₅.Na Peso molecolare: 473.38 Numero EC: 895-281-7 PubChem CID: 102593990

GRADE & PURITY 2mM in DMSO

Synonyms

A904622 | NCGC00159452-05 | 1807988-02-8 | BICTEGRAVIR SODIUM [WHO-DD] | GS-9883; GS 9883; GS9883; GS-9883-01; GS9883-01; GS 9883-01 | WJNFBIVCQMPPJC-FQYDJHLKSA-M | GS-9883 sodium | SCHEMBL19991461 | BICTEGRAVIR SODIUM COMPONENT OF BIKTARVY | BCP20910 | B

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Bictegravir (GS-9883) Sodium is a novel and potent inhibitor of HIV-1 integrase, specifically targets IN strand transfer activity with an IC50 of 7.5 nM.

Specifications

Sinonimi

A904622 | NCGC00159452-05 | 1807988-02-8 | BICTEGRAVIR SODIUM [WHO-DD] | GS-9883; GS 9883; GS9883; GS-9883-01; GS9883-01; GS 9883-01 | WJNFBIVCQMPPJC-FQYDJHLKSA-M | GS-9883 sodium | SCHEMBL19991461 | BICTEGRAVIR SODIUM COMPONENT OF BIKTARVY | BCP20910 | B

Specifiche e purezza

2mM in DMSO

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.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Human immunodeficiency virus type 1 integrase inhibitor

Nomi e identificatori

• Pubchem Sid: 528772355
• Sorrisi canonici: C1CC2CC1N3C(O2)CN4C=C(C(=O)C(=C4C3=O)[O-])C(=O)NCC5=C(C=C(C=C5F)F)F.[Na+]
• IUPAC Name: sodium;(1S,11R,13R)-3,6-dioxo-7-[(2,4,6-trifluorophenyl)methylcarbamoyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-dien-5-olate
• InChIKey: WJNFBIVCQMPPJC-FQYDJHLKSA-M
• INCHI: 1S/C21H18F3N3O5.Na/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28;/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30);/q;+1/p-1/t10-,11+,16+;/m0./s1
• Isomeri SMILES: C1C[C@@H]2C[C@H]1N3[C@H](O2)CN4C=C(C(=O)C(=C4C3=O)[O-])C(=O)NCC5=C(C=C(C=C5F)F)F.[Na+]
• PubChem CID: 102593990
• Peso molecolare: 473.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 2-heteroaryl carboxamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: 2-heteroaryl carboxamides
• Alternative Parents: Pyridinolates Fluorobenzenes 1,3-oxazepines Aryl fluorides 1,3-oxazinanes Vinylogous amides Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic metal halides Carboximidic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-heteroaryl carboxamide - Pyridinolate - Halobenzene - Fluorobenzene - Meta-oxazepine - Benzenoid - Pyridine - Oxazinane - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - 1,3-oxazinane - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Tertiary carboxylic acid amide - Cyclic ketone - Lactam - Organic metal halide - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 471.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 471.102 Da
• Monoisotopic Mass: 471.102 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 919.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

XLogP3