Bictegravir Sodium - ≥98% , 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.: B419984 분자식: C₂₁H₁₈F₃N₃O₅.Na 분자량: 473.38 EC 번호: 895-281-7 PubChem CID: 102593990

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

개요

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

동의어

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

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

Human immunodeficiency virus type 1 integrase inhibitor

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528772354
• 정식 스마일: 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
• 이성체 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
• 분자량: 473.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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