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 Peso molecular: 427.33 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Human immunodeficiency virus type 1 integrase inhibitor

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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+]
• CAS alternativo: 1051375-13-3
• PubChem CID: 46215800
• Términos de entrada MeSH: (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
• Peso molecular: 427.33

Propiedades químicas y físicas

• Solubilidad: DMSO : 6.9 mg/mL (16.15 mM; ultrasonic and warming and heat to 60°C)
• Peso molecular: 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

XLogP3