1357920-84-3 (Belizatinib,Belizatinib)

CAS号:
1357920-84-3
中文名称:
Belizatinib
英文名称:
Belizatinib
分子式:
C33H44FN5O3
分子量:
577.7326
简介:
Belizatinib 是一种有效的,可口服的ALK 和 TRKA、TRKB、TRKC 双重抑制剂,对野生型重组 ALK 的 IC50 值为0.7 nM。

Belizatinib(1357920-84-3)名称与标识符

名称

英文别名:
Belizatinib;TSR-011;Belizatinib (TSR011);Z8A6022P3J;Belizatinib [INN];4-fluoro-N-(6-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-1-((1s,4s)-4-(isopropylcarbamoyl)cyclohexyl)-1H-benzo[d]imidazol-2-yl)benzamide;4-Fluoro-N-{(2e)-6-{[4-(2-Hydroxypropan-2-Yl)piperidin-1-Yl]methyl}-1-[cis-4-(Propan-2-Ylcarbamoyl)cyclohexyl]-1,3-Dihydro-2h-Benzimidazol-2-Ylidene}benzamide;4-fluoro-N-(6-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-;Belizatinib (TSR011) CS-2493;Belizatinib [WHO-DD];Benzamide, 4-fluoro-N-(6-((4-(1-hydroxy-1-methylethyl)-1-piperidinyl)methyl)-1-(cis-4-(((1-methylethyl)amino)carbonyl)cyclohexyl)-1H-benzimidazol-2-yl)-;D80502;4-Fluoro-N-(6-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-1H-benzo[d]imidazol-2-yl)benzamide;1357920-84-3;AC-33658;SCHEMBL573248;DA-51015;Benzamide, N-(1,3-dihydro-6-((4-(1-hydroxy-1-methylethyl)-1-piperidinyl)methyl)-1-(cis-4-(((1-methylethyl)amino)carbonyl)cyclohexyl)-2H-benzimidazol-2-ylidene)-4-fluoro-, (N(E))-;Belizatinib(TSR-011)?;SCHEMBL21206279;BS-15301;TSR011; TSR011; TSR 011;Belizatinib [INN:WHO-DD];AKOS037648708;CHEMBL2172308;Belizatinib (TSR-011);Q27295132;GLXC-10675;SCHEMBL24046243;BT166430;SCHEMBL19328243;SCHEMBL22567114;BDBM50396243;compound 36 [PMID: 22734674];4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;Belizatinib(TSR-011);TSR011;UNII-Z8A6022P3J;US11059827, Compound TSR-011;0UV;EX-A1509;4-fluoro-N-(6-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-1-(4-(propan-2-ylcarbamoyl)cyclohexyl)benzimidazol-2-yl)benzamide;SCHEMBL19328244;SCHEMBL573249;GTPL10474;BCP29521;4-fluoro-N-(6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[(1s,4s)-4-(isopropylcarbamoyl)cyclohexyl]-1,3-benzodiazol-2-yl)benzamide;HY-17603;s8511;4-fluoro-N-(6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[4-(isopropylcarbamoyl)cyclohexyl]-1,3-benzodiazol-2-yl)benzamide;CCG-270116;CS-6943;BDBM513991;

标识符

MDL:
MFCD31728490
InChIKey:
WSTUJEXAPHIEIM-UHFFFAOYSA-N
Inchi:
1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)
SMILES:
FC1C([H])=C([H])C(=C([H])C=1[H])C(N([H])C1=NC2C([H])=C([H])C(=C([H])C=2N1C1([H])C([H])([H])C([H])([H])C([H])(C(N([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)C([H])([H])C1([H])[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C(C([H])([H])[H])(C([H])([H])[H])O[H])C([H])([H])C1([H])[H])=O

Belizatinib(1357920-84-3)物化性质

计算特性

  • 精确分子量 : 577.34281844 g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 8
  • 同位素质量 : 577.34281844 g/mol
  • 重原子数量 : 42
  • 复杂度 : 909
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 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) : 4.5
  • 拓扑分子极性表面积 : 99.5
  • 分子量 : 577.7

Belizatinib(1357920-84-3)安全信息

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