501332-69-0 ((D-Glutamic acid, N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g])

CAS号:
501332-69-0
英文名称:
D-Glutamic acid, N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]
分子式:
C32H33N5O10
分子量:
647.63192820549
简介:
Idetrexed 是一种胸腺嘧啶合成酶抑制剂,特异性转运到 α 叶酸受体 (α - fr) 过表达肿瘤。Idetrexed 在 1.2 nmol/L 时抑制胸腺苷酸合成酶 a。

D-Glutamic acid, N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g](501332-69-0)名称与标识符

名称

英文别名:
D-Glutamic acid, N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g];D-GLUTAMIC ACID, N-[4-[2-PROPYN-1-YL[(6S)-4,6,7,8-TETRAHYDRO-2-(HYDROXYMETHYL)-4-OXO-3H-CYCLOPENTA[G]QUINAZOLIN-6-YL]AM...;D-GlutaMic acid, N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxyMethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]aMino]benzoyl]-L-γ-glutaMyl-yl]aMino]benzoyl]-L-γ-glutaMyl-;L-γ-Glutamyl-N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahyd ro-1H-cyclopenta[g]quinazolin-6-yl](2-propyn-1-yl)amino}benzoyl)- D-glutamic acid;Idetrexed;

标识符

InChIKey:
NVHRBQOZEMFKLD-CUYJMHBOSA-N
Inchi:
InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1
SMILES:
C#CCN([C@H]1CCC2=CC3=NC(CO)=NC(O)=C3C=C21)C4=CC=C(C(N[C@H](C(O)=O)CCC(N[C@@H](C(O)=O)CCC(O)=O)=O)=O)C=C4

D-Glutamic acid, N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g](501332-69-0)物化性质

计算特性

  • 氢键供体数量 : 7
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 17
  • 重原子数量 : 47