Pyrrol-1,2-dicarboxamid | 29787-03-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Pyrrol-1,2-dicarboxamid
• 英文别名: Pyrrole-1,2-dicarboxamide
• CAS: 29787-03-9
• 化学式: C₆H₇N₃O₂
• 分子量: 153.14
• InChiKey: CJKKKIHGJUYWJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.1
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• C8, c8' linked 5-oxo-1,2,3,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4] benzodiazepine dimers with 1h-pyrrole-dicarboxylic acid amide linkers and oligomeric analogs therof as well as related compounds for the treatment of proliferative diseases
  申请人：Howard Wilson Philip

  公开号：US20070191349A1

  公开（公告）日：2007-08-16

  Compounds of formula (I): PBD-A-Y—X—(Het) na -L-(Het) nb -L-(Het) nc -T-(Het′) nd -L-(Het′) ne -L-(Het′) nf —X′—Y′- A′-PBD′ and salts, solvates and chemically protected forms thereof, are disclosed wherein the PBD units have the formulae (PBD) (PBD′) with the bonds at the 8 position on each molecule bond to the A and A′ groups respectively; A is selected from O, S, NH or a single bond, and each Het and Het′ is respectively an amino-heteroarylene-carbonyl group; X and X′ are both either NH or C (═O)-Q—C(═O)— wherein Q is a divalent group such that HY═R; in a second aspectm the invention comprises compounds of the general formula (II): PBD-A-Y—X—(Het) ng -[L-(Het) nh ] nj -X′—Y′-A′-PBD′. Wherein: PBD and PBD′ are as defined above, X and X′ are either NH and C(═O) respectively or C(O) and NH respectively; the other substitutents are defined in the claims. Further aspects of the present invention relate to their use in the manufacture of a medicament for the treatment of a proliferative disease.

  公式（I）的化合物：PBD-A-Y—X—（Het）na-L-（Het）nb-L-（Het）nc-T-（Het′）nd-L-（Het′）ne-L-（Het′）nf—X′—Y′-A′-PBD′及其盐，溶剂化物和化学保护形式，其中PBD单元具有式（PBD）（PBD′），每个分子上8位置的键分别与A和A'基团结合；A选择自O，S，NH或单键，每个Het和Het′分别是氨基杂芳基羰基基团；X和X′均为NH或C（═O）-Q-C（═O）-，其中Q是二价基团，使得HY═R；在第二方面，本发明涉及一般式（II）的化合物：PBD-A-Y—X—（Het）ng-[L-（Het）nh]nj-X′—Y′-A′-PBD′。其中：PBD和PBD′如上所定义，X和X′分别为NH和C（═O）或C（O）和NH；其他取代基在权利要求中定义。本发明的进一步方面涉及它们在制造用于治疗增殖性疾病的药物中的使用。