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

COA

Grade & Purity:

2mM in DMSO

Cas Number: 1807988-02-8(DMSO)
Molecular Weight: 473.38
PubChem CID: 102593990

In stock

Item Number

B580314

Grouped product items
SKU	Size	Availability	Price	Qty
B580314-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90

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Compound libraries (12325)

Basic Description

Synonyms	Bictegravir sodium \| 1807988-02-8 \| Bictegravir (sodium) \| Bictegravir sodium [USAN] \| 4L5MP1Y7W7 \| GS-9883 sodium \| (2R,5S,13aR)-8-Hydroxy-7,9-dioxo-N-((2,4,6-trifluorophenyl)methyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazep
Specifications & Purity	2mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	INHIBITOR
Mechanism of action	Human immunodeficiency virus type 1 integrase inhibitor
Product Description	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.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	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
Description	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
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

Names and Identifiers

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
INCHI	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
InChIKey	WJNFBIVCQMPPJC-FQYDJHLKSA-M
Smiles	C1CC2CC1N3C(O2)CN4C=C(C(=O)C(=C4C3=O)[O-])C(=O)NCC5=C(C=C(C=C5F)F)F.[Na+]
Isomeric 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
Molecular Weight	473.38

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	471.400 g/mol
XLogP3
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 Å²
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

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