ChemSpider 2D Image | Dolutegravir sodium | C20H18F2N3NaO5

Dolutegravir sodium

  • Molecular FormulaC20H18F2N3NaO5
  • Average mass441.361 Da
  • Monoisotopic mass441.111237 Da
  • ChemSpider ID25060241

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R,12aS)-9-[(2,4-Difluorobenzyl)carbamoyl]-4-méthyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin-7-olate de sodium [French] [ACD/IUPAC Name]
(4R,12aS)-N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, sodium salt (1:1)
1051375-19-9 [RN]
1Q1V9V5WYQ
2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, sodium salt, (4R,12aS)- (1:1) [ACD/Index Name]
Dolutegravir sodium [USAN]
Natrium-(4R,12aS)-9-[(2,4-difluorbenzyl)carbamoyl]-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin-7-olat [German] [ACD/IUPAC Name]
Sodium (4R,12aS)-9-[(2,4-difluorobenzyl)carbamoyl]-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin-7-olate [ACD/IUPAC Name]
Sodium (4R,12aS)-9-{[(2,4-difluorophenyl)methyl]carbamoyl}-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin-7-olate
Tivicay [Trade name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GSK1349572A [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An organic sodium salt that is the monosodium salt of dolutegravir. Used for treatment of HIV-1. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76007, CHEBI:76007

    • Bio Activity:

      Anti-infection MedChem Express HY-13238A
      Anti-infection; Metabolism/Protease; MedChem Express HY-13238A
      Dolutegravir sodium salt(DTG; GSK1349572) is a HIV integrase inhibitor(IC50= 2.7 nM), modest activity against raltegravir-resistant signature mutants Y143R, Q148K, N155H, and G140S/Q148H. MedChem Express
      Dolutegravir sodium salt(DTG; GSK1349572) is a HIV integrase inhibitor(IC50= 2.7 nM), modest activity against raltegravir-resistant signature mutants Y143R, Q148K, N155H, and G140S/Q148H.; IC50 Value: 2.7 nM; Target: HIV Integrase; Dolutegravir (DTG, GSK1349572) is metabolized primarily by uridine diphosphate glucuronyltransferase (UGT)1A1, with a minor role of cytochrome P450 (CYP)3A, and with renal elimination of unchanged drug being extremely low (< 1% of the dose). MedChem Express HY-13238A
      Dolutegravir sodium salt(DTG; GSK1349572) is a HIV integrase inhibitor(IC50= 2.7 nM), modest activity against raltegravir-resistant signature mutants Y143R, Q148K, N155H, and G140S/Q148H.;IC50 Value: 2.7 nM;Target: HIV IntegraseDolutegravir (DTG, GSK1349572) is metabolized primarily by uridine diphosphate glucuronyltransferase (UGT)1A1, with a minor role of cytochrome P450 (CYP)3A, and with renal elimination of unchanged drug being extremely low (< 1% of the dose). Fifty-three percent of the total oral dose is excreted unchanged in the feces but it is unknown if all or part of this is due to unabsorbed drug or some percentage of biliary excretion of the glucuronide conjugate which can be further degraded to form the parent compound in the gut lumen. The current Food and Drug Administration (FDA) draft guidance for renal impairment studies states that a pharmacokinetic (PK) study in patients with renal impairment should be conducted even for those drugs primarily metabolized or sec MedChem Express HY-13238A
      HIV MedChem Express HY-13238A
      HIV HIV Integrase MedChem Express HY-13238A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


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