1-{3-[(3-Chloro-benzylamino)-methyl]-cyclopentyl}-1-[3-(2-morpholin-4-yl-ethoxy)-phenyl]-3-phenyl-urea | 373828-02-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-{3-[(3-Chloro-benzylamino)-methyl]-cyclopentyl}-1-[3-(2-morpholin-4-yl-ethoxy)-phenyl]-3-phenyl-urea
• CAS: 373828-02-5
• 化学式: C₃₂H₃₉ClN₄O₃
• 分子量: 563.14
• InChiKey: IBVLOZCZZGBSAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.05
• 重原子数：
  40.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  66.07
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-{3-[(3-Chloro-benzylamino)-methyl]-cyclopentyl}-1-[3-(2-morpholin-4-yl-ethoxy)-phenyl]-3-phenyl-urea 、 三氯乙酰氯 以 二氯甲烷 为溶剂， 生成 2,2,2-Trichloro-N-(3-chloro-benzyl)-N-(3-{1-[3-(2-morpholin-4-yl-ethoxy)-phenyl]-3-phenyl-ureido}-cyclopentylmethyl)-acetamide
  参考文献：
  名称：

  Synthesis and SAR of 1,3-disubstituted cyclohexylmethyl urea and amide derivatives as non-peptidic motilin receptor antagonists

  摘要：

  A series of 1,3-disubstituted cyclohexylmethyl urea and amide derivatives were synthesized as motilin receptor antagonists. Starting from known motilin antagonists, 1a and 1b, the cyclopentene scaffold was replaced and the four recognition elements optimized to arrive at a potent novel series. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.017
• 作为产物：
  描述：

  3-(2-吗啉-4-基乙氧基)苯胺 在 lithium aluminium tetrahydride 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 1-{3-[(3-Chloro-benzylamino)-methyl]-cyclopentyl}-1-[3-(2-morpholin-4-yl-ethoxy)-phenyl]-3-phenyl-urea
  参考文献：
  名称：

  Synthesis and SAR of 1,3-disubstituted cyclohexylmethyl urea and amide derivatives as non-peptidic motilin receptor antagonists

  摘要：

  A series of 1,3-disubstituted cyclohexylmethyl urea and amide derivatives were synthesized as motilin receptor antagonists. Starting from known motilin antagonists, 1a and 1b, the cyclopentene scaffold was replaced and the four recognition elements optimized to arrive at a potent novel series. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.017