928326-83-4 (尼达尼布BIBF-1120,BIBF-1120)

尼达尼布BIBF-1120(928326-83-4)名称与标识符

名称

中文别名:
BIBF-1120(VARGATEF)抗肿瘤药;尼达尼布;尼达尼布BIBF-1120;
英文别名:
BIBF-1120;BIBF 1120;BIBF1120 (VARGATEF);Nintedanib;Vargatef;VargatefTM BIBF;VargatefTMBIBF,1120(BIBF1120);Nintedanib (BIBF 1120);BIBF-1120;Nintedanib;1160294-26-7;3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone;CHEMBL2136735;Nintedanib- Bio-X;G6HRD2P839;BIBF1120,Vargatef;1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester;US10669235, Nintedanib;DB09079;NINTEDANIB COMPONENT OF OFEV;BCP09316;NSC800805;NSC-757442;SMR004701273;AKOS005145820;1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)-; 1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)- (9CI); BIBF 1120; Nintedanib; Ofev; Vargatef;methyl (3Z)-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate;BRD-K49075727-001-01-0;SB11190;methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate;Methyl (3Z)-3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylidene)-2-oxo-2,3-dihydro-1h-indole-6-carboxylate;BIBF1120;s1010;NSC-756659;J-502642;BDBM445209;EX-A2818;DTXSID20918936;CID 9809715;(Z)-Methyl 3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate;Nintedanib [USAN:INN];Vargatef Base;HSDB 8339;FT-0772497;HMS3244B14;HMS3295K01;NCGC00263156-02;Nintedanib (USAN/INN);656247-17-5;Nintedanib [USAN];KS-1434;SCHEMBL1535871;SCHEMBL431006;HY-50904;methyl 3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate;FT-0670358;AMY9163;(Z)-methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate;SCHEMBL431007;XZXHXSATPCNXJR-ZIADKAODSA-N;HMS3654A05;NSC756659;BCP9000405;BCP01744;Methyl 2-hydroxy-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-3H-indole-6-carboxylate;Q27163267;BDBM50026612;Q15149723;methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate;Intedanib;NSC757442;HMS3244B10;SW218301-2;Methyl (3Z)-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate;GTPL5936;NCGC00263156-01;928326-83-4;DTXSID201025948;NINTEDANIB [WHO-DD];Nintedanib [INN];UNII-G6HRD2P839;HMS3244B06;EN300-188528;OFEV COMPONENT NINTEDANIB;CCG-264775;Nintedanib (free base);Z2756516920;Nintedanib, Free Base;NS00040680;NSC-800805;3-[[4-[methyl-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid methyl ester;INTEDANIB [MI];CS-0104;CHEBI:85164;NCGC00263156-13;(Z)-Methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)-phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate;BN164249;NINTEDANIB [VANDF];NCGC00389321-03;CHEBI:91413;D10481;MLS006010165;AM84929;AKOS026750205;NS00099369;NCGC00263156-14;AKOS025401745;AC-25071;MFCD11974012;EX-A341;BIBF-1120(Vargatef);BRD-K49075727-001-08-5;Methyl 3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate;SCHEMBL25226025;methyl 2-hydroxy-3-[(E)-({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}imino)(phenyl)methyl]-1H-indole-6-carboxylate;BRD-K49075727-001-09-3;BIBF 1120 , Intedanib;1ST179559;SDCCGSBI-0654257.P002;CHEMBL5303538;SY034707;Nintedanib (BIBF 1120)?;NCGC00263156-15;Methyl (Z)-3-[[[4-[N-Methyl-2-(4-methyl-1-piperazinyl)acetamido]phenyl]amino](phenyl)methylene]-2-oxoindoline-6-carboxylate;

标识符

InChIKey:
CPMDPSXJELVGJG-UUDCSCGESA-N
Inchi:
1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3/b32-29+
SMILES:
O=C(CN1CCN(C)CC1)N(C)C1C=CC(=CC=1)/N=C(\C1C=CC=CC=1)/C1=C(NC2C=C(C(=O)OC)C=CC1=2)O

尼达尼布BIBF-1120(928326-83-4)物化性质

实验特性

  • LogP : 3.70270
  • PSA : 94.22000
  • 折射率 : 1.658
  • 沸点 : No data available
  • 熔点 : No data available
  • 蒸气压 : No data available
  • 闪点 : No data available
  • 颜色与性状 : No data avaiable
  • 密度 : 1.4±0.1 g/cm3

计算特性

  • 精确分子量 : 539.25300
  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 8
  • 同位素质量 : 539.25325455g/mol
  • 重原子数量 : 40
  • 复杂度 : 892
  • 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) : 4.3
  • 拓扑分子极性表面积 : 102Ų

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