 Home > Encyclopedia > Cabotegravir

Cabotegravir

Cabotegravir structure

CAS No:
1051375-10-0
Formula:
C19H17F2N3O5
Chemical Name:
Cabotegravir
Synonyms:
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-methyl-5,7-dioxo-,(3S,11aR)-;(3S,11aR)-N-[(2,4-Difluorophenyl)methyl]-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-methyl-5,7-dioxooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide;Cabotegravir;GSK 1265744A;GSK 744;(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;1229006-15-8;2316731-82-3
Categories:
Biochemical Engineering > Inhibitors

Description

Cabotegravir is a potent HIV integrase inhibitor as an oral lead-in tablet and long-acting injectable for the treatment and prevention of HIV infection. Cabotegravir is an inhibitor of OAT1 (IC50 0.81 μM) and OAT3 (IC50 0.41 μM).IC50 value: 0.81 μM (OAT1), 0.41 μM (OAT3) [1]Target: OAT1, OAT3Cabotegravir is a potent HIV integrase inhibitor in clinical development as an oral lead-in tablet and long-acting injectable for the treatment and prevention of HIV infection.[2] Cabotegravir is an

Cabotegravir is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (3S,11aR)-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-carboxylic acid with the amino group of 2,4-difluorobenzylamine. Used (as its sodium salt) for treatment of HIV-1. It has a role as a HIV-1 integrase inhibitor. It is a difluorobenzene, a secondary carboxamide, a monocarboxylic acid amide and an organic heterotricyclic compound. It is a conjugate acid of a cabotegravir(1-).|Cabotegravir has been investigated for the treatment of Acquired Immunodeficiency Syndrome.|Cabotegravir is a Human Immunodeficiency Virus Integrase Strand Transfer Inhibitor. The mechanism of action of cabotegravir is as a HIV Integrase Inhibitor, and Organic Anion Transporter 1 Inhibitor, and Organic Anion Transporter 3 Inhibitor.

Cabotegravir Basic Attributes

Molecular Weight：

405.3521864

Exact Mass：

405.35

UNII：

HMH0132Z1Q

DSSTox ID：

DTXSID50146982

ATC Code：

J05AX|J - Antiinfectives for systemic use

Characteristics

PSA：

99.2

XLogP3：

2.1

Density：

1.57±0.1 g/cm3(Predicted)

Boiling Point：

664.0±55.0 °C(Predicted)

Flash Point：

355.4±31.5 °C

Refractive Index：

1.661

Safety Information

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Drug Indication：

Treatment of human immunodeficiency virus (HIV-1) infection|Vocabria tablets are indicated in combination with rilpivirine tablets for the short-term treatment of Human Immunodeficiency Virus type 1 (HIV-1) infection in adults who are virologically suppressed (HIV-1 RNA

MeSH：

Inhibitors of HIV INTEGRASE, an enzyme required for integration of viral DNA into cellular DNA. (See all compounds classified as HIV Integrase Inhibitors.)

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

Cabotegravir Use and Manufacturing

Use Classification：

Human Drugs -> EU pediatric investigation plans|Human drugs -> Vocabria -> EMA Drug Category|Antivirals for systemic use -> Human pharmacotherapeutic group|Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:405.4
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:405.11362698
Monoisotopic Mass:405.11362698
Topological Polar Surface Area:99.2
Heavy Atom Count:29
Complexity:814
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Cabotegravir

NATURE INDUSTRIAL LIMITED Contact Supplier

HK
2 YRS

Business licensed

Trader Supplier of Weight Loss Peptide,Reta,Tirz,Sema,5 Amino 1mq,Cosmetic raw material,API,SLU-PP-332,Orforglipron,Pharmaceutical intermediates,Aniracetam,Paraxanthine,AF710B,Clascoterone,TAK-653,PRL-8-53

High Quality Raw Powder Cabotegravir CAS 1051375-10-0 99% powder in stock with Fast Delivery

CAS No.: 1051375-10-0

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

Cabotegravir

CAS No.: 1051375-10-0

Content: 99.00%

Inquiry