1448671-31-5 (AZD 3965,AZD3965)

结构式:
CAS号:
1448671-31-5
中文名称:
AZD 3965
英文名称:
AZD3965
分子式:
C21H24F3N5O5S
分子量:
515.5060
简介:
AZD3965是选择性的 MCT1 抑制剂,Ki 值为1.6 nM,比MCT2的选择性高6倍。

AZD 3965(1448671-31-5)名称与标识符

名称

中文别名:
AZD3965 抑制剂;
英文别名:
AZD 3965;AZD-3965;AZD3965;39OM5Y4K2F;(S)-5-(4-hydroxy-4-methylisoxazolidine-2-carbonyl)-1-isopropyl-3-methyl-6-((3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione;(S)-5-(4-Hydroxy-4-methylisoxazolidine-2-carbonyl)-1-isopropyl-3-methyl-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione;5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-[[5-methyl-3-(trifluorometh;5-(((4S)-4-Hydroxy-4-methyl-2-isoxazolidinyl)carbonyl)-3-methyl-1-(1-methylethyl)-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thieno(2,3-d)pyrimidine-2,4(1H,3H)-dione;MCT1 Inhibitor AZD3965;EX-A806;Thieno(2,3-d)pyrimidine-2,4(1H,3H)-dione, 5-(((4S)-4-hydroxy-4-methyl-2-isoxazolidinyl)carbonyl)-3-methyl-1-(1-methylethyl)-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-;5-[[(4S)-4-Hydroxy-4-methyl-2-isoxazolidinyl]carbonyl]-3-methyl-1-(1-methylethyl)-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione;AZD 3965 [WHO-DD];CID 10369242;5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-1-isopropyl-3-methyl-6-{[3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4-dione;5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione;HY-12750;5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-1-(propan-2-yl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione;1448671-31-5;AC-33040;5-[[(4S)-4-Hydroxy-4-methyl-2-isoxazolidinyl]carbonyl]-3-methyl-1-(1-methylethyl)-6-[[3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione;AS-75322;Monocarboxylate Transporter 1 Inhibitor AZD3965;BCP09948;733809-45-5;HMS3873L03;4-(2-{[5-Methyl-1-(2-naphthyl)-1H-pyrazol-3-yl]oxy}ethyl)morpholine hydrochloride;s7339;AKOS027323783;NSC787047;NSC-787047;BA164976;J-690346;Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5-[[(4S)-4-hydroxy-4-methyl-2-isoxazolidinyl]carbonyl]-3-methyl-1-(1-methylethyl)-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-;UNII-39OM5Y4K2F;NCGC00415059-01;SCHEMBL2875156;5-[(4s)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-1-isopropyl-3-methyl-6-{[3-methyl-5-(trifluoromethyl)-2h-pyrazol-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4-dione;GTPL10605;BRD-K25210703-001-01-9;5-((4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl)-3-methyl-6-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)-1-propan-2-ylthieno(2,3-d)pyrimidine-2,4-dione;CCG-269813;BCP17734;

标识符

MDL:
MFCD28963899
InChIKey:
PRNXOFBDXNTIFG-FQEVSTJZSA-N
Inchi:
1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m0/s1
SMILES:
S1C(C([H])([H])C2C(C(F)(F)F)=NN([H])C=2C([H])([H])[H])=C(C(N2C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])O2)O[H])=O)C2C(N(C([H])([H])[H])C(N(C([H])(C([H])([H])[H])C([H])([H])[H])C1=2)=O)=O

AZD 3965(1448671-31-5)物化性质

计算特性

  • 精确分子量 : 515.145025g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 4
  • 同位素质量 : 515.145025g/mol
  • 重原子数量 : 35
  • 复杂度 : 894
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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
  • 拓扑分子极性表面积 : 147
  • 分子量 : 515.5g/mol