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Cabotegravir - 97%, high purity , Human immunodeficiency virus type 1 integrase inhibitor, CAS No.1051375-10-0, Human immunodeficiency virus type 1 integrase inhibitor

COA COA
In stock
Item Number
C171830
Grouped product items
SKU Size
Availability
 Price Qty
C171830-10mg
10mg
2
$53.90
C171830-50mg
50mg
2
$205.90
C171830-250mg
250mg
2
$927.90
C171830-1g
1g
2
$3,337.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Anti-infection (2803) HIV (254) HIV Integrase (29) Membrane Transporter (607) Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395) Virus (1811)

Basic Description

Synonyms (3S,11AR)-N-(2,4-difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide | HMS2236F06 | N-((2,4-difluorophenyl)methyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro(1,3)oxazolo(3,2-a)p
Specifications & Purity Moligand™, ≥97%
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Human immunodeficiency virus type 1 integrase inhibitor
Product Description

Cabotegravir is a long acting HIV-1 integrase inhibitor with action against a broad range of HIV subtypes.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Pyridines and derivatives
Subclass Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Pyridinecarboxylic acids and derivatives
Alternative Parents 2-heteroaryl carboxamides  Fluorobenzenes  Hydroxypyridines  Aryl fluorides  Vinylogous amides  Vinylogous acids  Tertiary carboxylic acid amides  Heteroaromatic compounds  Oxazolidines  Lactams  Secondary carboxylic acid amides  Cyclic ketones  Oxacyclic compounds  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Hydroxypyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxazolidine - Vinylogous amide - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Cyclic ketone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description This 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

Product Properties

ALogP 2.1

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
pol Human immunodeficiency virus type 1 integrase (9041 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Human immunodeficiency virus 1 (70413 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Human immunodeficiency virus (3636 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDCK (10148 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504771384
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771384
IUPAC Name (3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
INCHI InChI=1S/C19H17F2N3O5/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)/t9-,14+/m0/s1
InChIKey WCWSTNLSLKSJPK-LKFCYVNXSA-N
Smiles CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
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
Molecular Weight 405.3522
Reaxy-Rn 31661431
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31661431&ln=

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

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

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
K2211149 Certificate of Analysis Jul 08, 2022 C171830
K2211150 Certificate of Analysis Jul 08, 2022 C171830
K2211151 Certificate of Analysis Jul 08, 2022 C171830
K2211148 Certificate of Analysis Jul 08, 2022 C171830

Chemical and Physical Properties

Solubility Chloroform (Slightly, Sonicated), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
Melt Point(°C) 248-251ºC
Molecular Weight 405.400 g/mol
XLogP3 2.100
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 3
Exact Mass 405.114 Da
Monoisotopic Mass 405.114 Da
Topological Polar Surface Area 99.200 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 814.000
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 1

Solution Calculators

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