11-​[2,​3-​Dihydro-​2-​[[2-​(3-​pyridinyl)​-​4-​quinazolinyl]​amino]​-​1H-​inden-​5-​yl]​-10-​undecynoic acid

CAS: 2229046-14-2

Ref. TR-D454340

Informação sobre produto

• Nome: 11-​[2,​3-​Dihydro-​2-​[[2-​(3-​pyridinyl)​-​4-​quinazolinyl]​amino]​-​1H-​inden-​5-​yl]​-10-​undecynoic acid
• Sinónimos: 11-[2,3-Dihydro-2-[[2-(3-pyridinyl)-4-quinazolinyl]amino]-1H-inden-5-yl]-10-undecynoic acid, 11-[2,3-Dihydro-2-[[2-(3-pyridinyl)-4-quinazolinyl]amino]-1H-inden-5-yl]-10-undecynoic acid
• Marca: TRC
• Descrição: Applications 11-​[2,​3-​Dihydro-​2-​[[2-​(3-​pyridinyl)​-​4-​quinazolinyl]​amino]​-​1H-​inden-​5-​yl]​-10-​undecynoic acid is an intermediate of JZ 5029 which is part of a study for the β-​Glucocerebrosidase (GCase) modulators and its dimerization resulting in allosteric binding site which could help with Parkinson's disease.References Zheng, J., et al.: J. Am. Chem. Soc., 140, 5914-24 (2018)

Propriedades químicas

• Peso molecular: 518.649
• Fórmula: C₃₃H₃₄N₄O₂
• Cor/forma: Neat
• InChI: InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)
• Chave InChI: InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-N
• SMILES: O=C(O)CCCCCCCCC#Cc1ccc2c(c1)CC(Nc1nc(-c3cccnc3)nc3ccccc13)C2