N-(3-carboethoxy-5-methyl-4-phenylthien-2-yl)-N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-urea | 255713-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-(3-carboethoxy-5-methyl-4-phenylthien-2-yl)-N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-urea
• 英文别名: ethyl 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylcarbamoylamino]-5-methyl-4-phenylthiophene-3-carboxylate
• CAS: 255713-67-8
• 化学式: C₂₈H₃₄N₄O₄S
• 分子量: 522.668
• InChiKey: ANBIPJWHMCCAIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(3-carboethoxy-5-methyl-4-phenylthien-2-yl)-N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-urea 在 potassium tert-butylate 作用下， 以 乙醇 为溶剂， 生成 3-[4-(2-methoxyphenyl)piperazinylethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine-2,4dione
  参考文献：
  名称：

  Two Novel and Potent 3-[(o-Methoxyphenyl)piperazinylethyl]-5-phenylthieno[2,3-d]pyrimidine-2,4-diones Selective for the α1D Receptor

  摘要：

  ,The synthesis and in vitro characterization of A-119637 and A-123189, two novel, selective and potent alpha (1D) antagonists, are described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00159-7
• 作为产物：
  描述：

  2-氨基-5-甲基-4-苯基噻吩-3-羧酸乙酯 在 N,N-二异丙基乙胺 作用下， 以 甲苯 、 乙腈 为溶剂， 生成 N-(3-carboethoxy-5-methyl-4-phenylthien-2-yl)-N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-urea
  参考文献：
  名称：

  Two Novel and Potent 3-[(o-Methoxyphenyl)piperazinylethyl]-5-phenylthieno[2,3-d]pyrimidine-2,4-diones Selective for the α1D Receptor

  摘要：

  ,The synthesis and in vitro characterization of A-119637 and A-123189, two novel, selective and potent alpha (1D) antagonists, are described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00159-7

文献信息

• Piperazinyl pyrimidine dione compounds selective for adrenoceptors
  申请人：Abbott Laboratories

  公开号：US06166019A1

  公开（公告）日：2000-12-26

  Compounds of Formula I and II and their pharmaceutically acceptable, salts, esters and prodrugs thereof are selective alpha-1D adrenoceptor anatagonists and may be useful for treating disease states.

  公式I和II的化合物及其药用可接受的盐、酯及其前药是选择性α-1D肾上腺素受体拮抗剂，可能对治疗疾病状态有用。
• US6153614A
  申请人：——

  公开号：US6153614A

  公开（公告）日：2000-11-28
• US6166019A
  申请人：——

  公开号：US6166019A

  公开（公告）日：2000-12-26
• Two Novel and Potent 3-[(o-Methoxyphenyl)piperazinylethyl]-5-phenylthieno[2,3-d]pyrimidine-2,4-diones Selective for the α1D Receptor
  作者：William A Carroll、Kevin B Sippy、Timothy A Esbenshade、Steven A Buckner、Arthur A Hancock、Michael D Meyer

  DOI：10.1016/s0960-894x(01)00159-7

  日期：2001.5

  ,The synthesis and in vitro characterization of A-119637 and A-123189, two novel, selective and potent alpha (1D) antagonists, are described. (C) 2001 Elsevier Science Ltd. All rights reserved.