1818339-66-0 (PF-06751979,PF-06751979)

CAS号:
1818339-66-0
中文名称:
PF-06751979
英文名称:
PF-06751979
分子式:
C18H19F2N5O3S2
分子量:
455.501967668533
简介:
PF-06751979 是一种有效的,脑渗透性的 β-淀粉样前体蛋白裂解酶1 (BACE1) 抑制剂,IC50 为 7.3 nM。

PF-06751979(1818339-66-0)名称与标识符

名称

英文别名:
N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide;1Y0Y126GUG;US9315520, Comparator 1;US9315520, Example 1;US9315520, Example 2;BDBM223395;DB15105;US9315520, 1;2-Pyridinecarboxamide, N-[2-[(4aR,6S,8aR)-2-amino-4,4a,5,6-tetrahydro-6-methylpyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-;PF-06751979;N-(2-((4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano(3,4-d)(1,3)thiazin-8a(8H)-yl)-1,3-thiazol-4-yl)-5-(difluoromethoxy)-2-pyridinecarboxamide;1818339-66-0;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide;CHEMBL3952064;N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4H,4aH,5H,6H,8H,8aH-pyrano(3,4-d)(1,3)thiazin-8a-yl)-1,3-thiazol-4-yl)-5-(difluoromethoxy)pyridine-2-carboxamide;N-(2-((4aR,6S,8aR)-2-Amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano(3,4-d)(1,3)thiazin-8a-yl)thiazol-4-yl)-5-(difluoromethoxy)pyridine-2-carboxamide;N-{2-[(4aR,6S,8a R)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyridine-2-carboxamide;MS-28303;G16318;N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4H,4aH,5H,6H,8H,8aH-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyridine-2-carboxamide;DA-76779;2-Pyridinecarboxamide, N-[2-[(4aR,6S,8aR)-2-amino-4,4a,5,6-tetrahydro-6-methylpyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-4-thiazolyl]-5-(difluoromethoxy)-;UNII-1Y0Y126GUG;HY-112157;N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4H,4aH,5H,6H,8H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl}-5-(difluoromethoxy)pyridine-2-carboxamide;CS-0043501;AKOS040734426;SCHEMBL17162186;2-Pyridinecarboxamide, N-(2-((4aR,6S,8aR)-2-amino-4,4a,5,6-tetrahydro-6-methylpyrano(3,4-d)(1,3)thiazin-8a(8H)-yl)-4-thiazolyl)-5-(difluoromethoxy)-;

标识符

InChIKey:
ZLZUHACSRMOLLV-RAALSFIWSA-N
Inchi:
1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1
SMILES:
S1C(N)=N[C@@]2(C3=NC(=CS3)NC(C3C=CC(=CN=3)OC(F)F)=O)CO[C@@H](C)C[C@H]2C1

PF-06751979(1818339-66-0)物化性质

计算特性

  • 精确分子量 : 455.089738g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 5
  • 同位素质量 : 455.089738g/mol
  • 重原子数量 : 30
  • 复杂度 : 676
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.4
  • 拓扑分子极性表面积 : 165
  • 分子量 : 455.5g/mol

PF-06751979(1818339-66-0)安全信息

PF-06751979(1818339-66-0)推荐厂家 更多厂家(9)