Cabotegravir sodium - ≥99% , Human immunodeficiency virus type 1 integrase inhibitor, CAS No.1051375-13-3, Human immunodeficiency virus type 1 integrase inhibitor

CAS: 1051375-13-3 Cat. No.: C646921 Molecular Weight: 427.33 EC Number: 857-514-0 PubChem CID: 46215800

GRADE & PURITY ≥99%

Synonyms

Q27257476 | Cabotegravir (sodium) | CABOTEGRAVIR SODIUM [ORANGE BOOK] | EN300-97513 | F11513 | Tox21_111391 | Cabotegravir sodium | Oxazolo(3,2-a)pyrido(1,2-d)pyrazine-8-carboxamide, N-((2,4-difluorophenyl)methyl)-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-meth

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Cabotegravir (GSK-1265744) sodium is a orally active and long-acting HIV integrase strand transfer inhibitor and organic anion transporter 1/3 ( OAT1 / OAT3 ) inhibitor with IC 50 values of 2.5 nM, 0.41 μM and 0.81 μM for HIV ADA , OAT3 and OAT1, respectively. Cabotegravir sodium is primarily metabolized by uridine diphosphate glucuronosyltransferase (UGT) 1A1, with low potential to interact with other antiretroviral agents (ARVs). Cabotegravir sodium can be used to research AIDS

In Vitro

Cabotegravir (GSK-1265744) inhibits the HIV-1 integrase catalyzed strand transfer reaction with an IC 50 of 3.0 nM in vitro. The antiviral EC 50 against HIV-1 Ba-L is 0.22 nM and that against NL432 is 0.34 nM in PBMCs, 0.57 nM using CellTiter-Glo and 1.3 nM using MTT in MT-4, and 0.5 nM in the PHIV assay, which uses a pseudotyped self-inactivating virus. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: MT-4 cells Concentration: 0-32 nM Incubation Time: 4 or 5 days Result: Showed antiviral activity with an EC 50 of 1.3 nM.

In Vivo

The half-life of Cabotegravir is up to 54 days in mice . Cabotegravir (25 or 50 mg/kg; i.v.; single dose or twice) protects Macaques against intravenous challenge with SIVmac251. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC 50 : 2.5 nM (HIV ADA ), IC 50 : 0.41 μM (OAT3), 0.81 μM (OAT1)

Specifications

Synonyms

Q27257476 | Cabotegravir (sodium) | CABOTEGRAVIR SODIUM [ORANGE BOOK] | EN300-97513 | F11513 | Tox21_111391 | Cabotegravir sodium | Oxazolo(3, 2-a)pyrido(1, 2-d)pyrazine-8-carboxamide, N-((2, 4-difluorophenyl)methyl)-2, 3, 5, 7, 11, 11a-hexahydro-6-hydroxy-3-meth

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Cabotegravir (GSK-1265744) sodium is a orally active and long-acting HIV integrase strand transfer inhibitor and organic anion transporter 1/3 ( OAT1 / OAT3 ) inhibitor with IC 50 values of 2.5 nM, 0.41 μM and 0.81 μM for HIV ADA , OAT3 and OAT1, respecti

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]
• IUPAC Name: sodium;(3R,6S)-12-[(2,4-difluorophenyl)methylcarbamoyl]-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-dien-10-olate
• InChIKey: AEZBWGMXBKPGFP-KIUAEZIZSA-M
• INCHI: 1S/C19H17F2N3O5.Na/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21;/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27);/q;+1/p-1/t9-,14+;/m0./s1
• Isomeric SMILES: C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]
• Alternate CAS: 1051375-13-3
• PubChem CID: 46215800
• MeSH Entry Terms: (3S,11aR)-N-((2,6-difluoropyridin-3-yl)methyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro(1,3)oxazolo(3,2-a)pyrido(1,2-d)pyrazine-8-carboxamide;Apretude;cabotegravir;cabotegravir extended-release injectable suspension;cabotegravir sodium;GSK-12
• Molecular Weight: 427.33

Chemical and Physical Properties

• Solubility: DMSO : 6.9 mg/mL (16.15 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 427.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 427.096 Da
• Monoisotopic Mass: 427.096 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 820.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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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