1513857-77-6 (Pemigatinib,Pemigatinib)

CAS号:
1513857-77-6
中文名称:
Pemigatinib
英文名称:
Pemigatinib
分子式:
C24H27F2N5O4
分子量:
487.4991
简介:
Pemigatinib (INCB054828) 是一种具有口服活性的,选择性 FGFR 抑制剂,对于 FGFR1,FGFR2,FGFR3,FGFR4 的 IC50 分别为 0.4 nM,0.5 nM,1.2 nM,30 nM。Pemigatinib 有用于胆管癌的潜力。

Pemigatinib(1513857-77-6)名称与标识符

名称

英文别名:
Pemigatinib;INCB054828;Y6BX7BL23K;3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-4,7-dihydropyrrolo[4,5]pyrido[1,2-d]pyrimidin-2-one;3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-[(morpholin-4-yl)methyl]-1,3,4,7-tetrahydro-2Hpyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one;Pemazyre;Pemazyre (TN);Pemigatinib [INN];Pemigatinib [USAN];Pemigatinib [USAN:INN];Fgfr inhibitor INCB054828;Pemigatinib (JAN/USAN/INN);GTPL9767;Pemig;NSC-816556;Pemigatinib (INCB054828);HCDMJFOHIXMBOV-UHFFFAOYSA-N;US10131667, Example 126;AKOS040734158;AT15587;INCB54828;example 126 [WO2014007951];PEMIGATINIB [MI];CHEMBL4297522;INCB 54828;UNII-Y6BX7BL23K;1513857-77-6;2H-Pyrrolo(3',2':5,6)pyrido(4,3-d)pyrimidin-2-one, 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-;example 126 (WO2014007951);AC-36489;MFCD31706227;DA-76699;3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one;PEMIGATINIB [ORANGE BOOK];NSC816556;1513857-77-6 (free base);Pemigatinib; 2H-Pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one, 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-; 3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-2H-pyrrolo[3',2':5,6]pyrid;DTXSID501027955;11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetraazatricyclo[7.4.0.0(2),?]trideca-1,3,6,8-tetraen-12-one;D11417;11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one;EN300-22847362;11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-[(morpholin-4-yl)methyl]-5,7,11,13-tetraazatricyclo[7.4.0.0,2,6]trideca-1(9),2(6),3,7-tetraen-12-one;3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholinomethyl)-3,4-dihydro-1H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2(7H)-one;SCHEMBL15556271;CS-0039499;PEMIGATINIB [WHO-DD];3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholinomethyl)-1,3,4,6-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one;3-(2,6-DIFLUORO-3,5-DIMETHOXYPHENYL)-1-ETHYL-8-(MORPHOLIN-4-YLMETHYL)-1,3,4,7-TETRAHYDRO-2H-PYRROLO(3',2':5,6)PYRIDO(4,3-D)PYRIMIDIN-2-ONE;Pemigatinib?;3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one;pemigatinibum;3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-((morpholin-4-yl)methyl)-1,3,4,7-tetrahydro-2H-pyrrolo(3',2':5,6)pyrido(4,3-d)pyrimidin-2-one;BDBM301310;AS-78489;HY-109099;PEMIGATINIB [JAN];DB15102;EX-A4049;INCB-54828;3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3'',2'':5,6]pyrido[4,3-d]pyrimidin-2-one;INCB-054828;

标识符

MDL:
MFCD31706227
InChIKey:
HCDMJFOHIXMBOV-UHFFFAOYSA-N
Inchi:
1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
SMILES:
FC1C(=C([H])C(=C(C=1N1C(N(C([H])([H])C([H])([H])[H])C2C(=C([H])N=C3C=2C([H])=C(C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])N3[H])C1([H])[H])=O)F)OC([H])([H])[H])OC([H])([H])[H]

Pemigatinib(1513857-77-6)物化性质

计算特性

  • 精确分子量 : 487.203111g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 6
  • 同位素质量 : 487.203111g/mol
  • 重原子数量 : 35
  • 复杂度 : 731
  • 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) : 1.8
  • 拓扑分子极性表面积 : 83.2
  • 分子量 : 487.5g/mol

Pemigatinib(1513857-77-6)安全信息

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