产品名称

英文名称：Dolutegravir (GSK1349572)

同义词

GSK1349572、DOLUTEGRAVIR [VANDF]、GSK 1349572、HSDB 8152、Tivicay (TN)、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-, (4R,12aS)、SCHEMBL82071、Z2235801952、FT-、度鲁特韦

产品性质

CAS编号：1051375-16-6

分子式：C20H19F2N3O5

分子量：419.38

PubChem编号：54726191

别名：度鲁特韦

英文别名：GSK1349572|DOLUTEGRAVIR [VANDF]|GSK 1349572|HSDB 8152|Tivicay (TN)|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-, (4R,12aS)|SCHEMBL82071|Z2235801952|FT-

规格或纯度：≥99%

英文名称：Dolutegravir (GSK1349572)

生化机理：Dolutegravir (DTG, GSK1349572) is an integrase inhibitor being developed for the treatment of human immunodeficiency virus (HIV)-1 infection by GlaxoSmithKline (GSK) on behalf of Shionogi-ViiV Healthcare LLC. Dolutegravir (DTG, GSK1349572) is metabolized primarily by uridine diphosphate glucuronyltransferase (μgT)1A1, with a minor role of cytochrome P450 (CYP)3A, and with renal elimination of unchanged drμg 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 drμg or some percentage of biliary excretion of the glucuronide conjμgate which can be further degraded to form the parent compound in the gut lumen. The current Food and Drμg Administration (FDA) draft guidance for renal impairment studies states that a pharmacokinetic (PK) study in patients with renal impairment should be conducted even for those drμgs primarily metabolized or secrete.Potent\xa0HIV integrase inhibitor (IC 50 = 2.7 nM for HIV-1 integrase-catalyzed strand transfer in vitro) . Inhibits HIV-1 viral replication (EC 50 = 0.51 nM) in peripheral blood mononuclear cells (PBMCs).

储存温度：-20°C储存

运输条件：超低温冰袋运输

产品介绍：S/GSK1349572 inhibits recombinant HIV-1 integrase-catalyzed strand transfer in vitro. S/GSK1349572 potently inhibits HIV replication in cells infected with a self-inactivating PHIV lentiviral vector, such as peripheral blood mononuclear cells (PBMCs), MT-4 cells and CIP4. S/GSK1349572 exhibits potent activity against five different nonnucleoside reverse transcription inhibitor--resistant or nucleoside reverse transcription inhibitor--resistant viruses in vitro. S/GSK1349572 shows equivalent activity against two protease inhibitor-resistant viruses similarly to that against wild-type virus.Dolutegravir (GSK1349572)是一种HIV整合酶抑制剂，IC50为2.7 nM，适度有效作用于抗Raltegravir的显著突变体Y143R， Q148K， N155H，和G140S/Q148H。S/GSK1349572 inhibits recombinant HIV-1 integrase-catalyzed strand transfer in vitro. S/GSK1349572 potently inhibits HIV replication in cells infected with a self-inactivating PHIV lentiviral vector, such as peripheral blood mononuclear cells (PBMCs), MT-4 cells and CIP4. S/GSK1349572 exhibits potent activity against five different nonnucleoside reverse transcription inhibitor--resistant or nucleoside reverse transcription inhibitor--resistant viruses in vitro. S/GSK1349572 shows equivalent activity against two protease inhibitor-resistant viruses similarly to that against wild-type virus.Dolutegravir (GSK1349572) is a two-metal-binding HIV integrase inhibitor with IC50 of 2.7 nM, modest activity against raltegravir-resistant signature mutants Y143R, Q148K, N155H, and G140S/Q148H.

IUPAC Name：(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

INCHI：InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1

InChi Key：RHWKPHLQXYSBKR-BMIGLBTASA-N

Canonical SMILES：CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O

Isomeric SMILES：C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O

PubChem CID：54726191

Wikipedia：Dolutegravir

CAS Registry No.：1051375-16-6

ChEMBL Ligand：CHEMBL1229211

DrugBank Ligand：DB08930

RCSB PDB Ligand：DLU

DrugCentral Ligand：4805

溶解性：Soluble in DMSO (84 mg/ml at 25 °C), water (<1 mg/ml at 25 °C), and ethanol (<1 mg/ml at 25 °C).

产品包装