2-(3,3-Dimethyl-ureido)-4-propoxy-thiophene-3-carboxylic acid amide | 309278-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-(3,3-Dimethyl-ureido)-4-propoxy-thiophene-3-carboxylic acid amide
• 英文别名: 2-(dimethylcarbamoylamino)-4-propoxythiophene-3-carboxamide
• CAS: 309278-50-0
• 化学式: C₁₁H₁₇N₃O₃S
• 分子量: 271.34
• InChiKey: XSJZTFGQSONQNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ammonium hydroxide 、 2-(3,3-Dimethyl-ureido)-4-propoxy-thiophene-3-carboxylic acid methyl ester 以 乙醇 为溶剂， 反应 5.0h， 以to afford a white solid (15 mg, 55.3 micromol, 51%) 1H NMR (CDCL3, 400 MHz) 1.03 (t, 3H, J=7.3 Hz), 1.81-1.88 (m, 2H), 3.04 (s, 6H), 3.97 (t, 2H, J=6.6 Hz), 5.33 (broad s, 1H), 5.55 (s, 1H), 7.50 (broad s, 1H), 12.00 (s, 1H)的产率得到2-(3,3-Dimethyl-ureido)-4-propoxy-thiophene-3-carboxylic acid amide
  参考文献：
  名称：

  Heterocyclic derivatives useful as anticancer agents

  摘要：

  本发明涉及式1的化合物及其药学上可接受的盐、前药和溶剂化物，其中Z、X、X1、R1、R2和R3的定义如本文所述，与上述化合物相关的药物组合物用于通过给予上述化合物治疗哺乳动物中由血管生成介导的疾病。

  公开号：

  US06380214B1

文献信息

• HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS
  申请人：Pfizer Products Inc.

  公开号：EP1187826A1

  公开（公告）日：2002-03-20
• US6380214B1
  申请人：——

  公开号：US6380214B1

  公开（公告）日：2002-04-30
• [EN] HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS<br/>[FR] DERIVES HETEROCYCLIQUES SERVANT D'AGENTS ANTICANCEREUX
  申请人：PFIZER PROD INC

  公开号：WO2000071532A1

  公开（公告）日：2000-11-30

  The present invention relates to compounds of formula (1) and to pharmaceutically acceptable salts, prodrugs and solvates thereof, wherein Z, X, X?1, R1, R2 and R3¿ are as defined herein as it relates to pharmaceutical compositions containing the above compounds for the treatment of disorders mediated by angiogenesis in mammals by administration of the above compounds.
• Heterocyclic derivatives useful as anticancer agents
  申请人：Pfizer Inc.

  公开号：US06380214B1

  公开（公告）日：2002-04-30

  The present invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts, prodrugs and solvates thereof, wherein Z, X, X1, R1, R2 and R3 are as defined herein as it relates to pharmaceutical compositions containing the above compounds for the treatment of disorders mediated by angiogenesis in mammals by administration of the above compounds.

  本发明涉及式1的化合物及其药学上可接受的盐、前药和溶剂化物，其中Z、X、X1、R1、R2和R3的定义如本文所述，涉及含有上述化合物的药物组合物，用于通过给予上述化合物治疗哺乳动物中介导血管生成的疾病。