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
AVAILABLE TO ORDER
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
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Status
Price
Qty
10mg
C646921-10mg
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$110.90
25mg
C646921-25mg
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$210.90
50mg
C646921-50mg
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$380.90
100mg
C646921-100mg
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$480.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

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 SmilesCC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]
IUPAC Namesodium;(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
InChIKeyAEZBWGMXBKPGFP-KIUAEZIZSA-M
INCHI1S/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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxylic acids and derivatives
Alternative Parents 2-heteroaryl carboxamides  Fluorobenzenes  Pyridinolates  Aryl fluorides  Oxazolidines  Vinylogous acids  Tertiary carboxylic acid amides  Vinylogous amides  Heteroaromatic compounds  Tertiary amines  Secondary carboxylic acid amides  Amino acids and derivatives  Cyclic ketones  Lactams  Oxacyclic compounds  Azacyclic compounds  Organic metal halides  Organic sodium salts  Organofluorides  Organic oxides  Organic zwitterions  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Pyridinolate - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous acid - Vinylogous amide - Carboxamide group - Lactam - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Cyclic ketone - Oxacycle - Organic metal halide - Azacycle - Carboxylic acid derivative - Organic alkali metal salt - Organic salt - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - Organic nitrogen compound - Organic sodium salt - Organic zwitterion - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 6.9 mg/mL (16.15 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight427.300 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass427.096 Da
Monoisotopic Mass427.096 Da
Topological Polar Surface Area102.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity820.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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