2-[3-{4-(2-ethoxyphenyl)piperazin-1-yl}propyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione hydrochloride | 612519-11-6

• 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: 2-[3-{4-(2-ethoxyphenyl)piperazin-1-yl}propyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione hydrochloride
• 英文别名: 2-[3-[4-(2-Ethoxyphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride
• CAS: 612519-11-6
• 化学式: C₂₃H₃₁N₃O₃*ClH
• 分子量: 433.978
• InChiKey: QZZSWSZXLPXVQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.97
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  53.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[3-{4-(2-ethoxyphenyl)piperazin-1-yl}propyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione hydrochloride 在 sodium hydroxide 、 水 、 溶剂黄146 作用下， 反应 2.0h， 以25%的产率得到6-[3-[4-(2-Ethoxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
  参考文献：
  名称：

  US2006/247249

  摘要：

  公开号：

文献信息

• 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers
  申请人：——

  公开号：US20020156085A1

  公开（公告）日：2002-10-24

  The present invention relates to a novel 1,4-disubstituted piperazine derivatives of Formula I, 1 and their pharmaceutically acceptable acid addition salts having excellent uro-selective &agr; 1 -adrenoceptor antagonistic activity exceeding those of previously described compounds. The compounds of the present invention hold promise for treating the symptoms of benign prostatic hyperplasia (BPH). The invention also relates to methods for making the novel compounds, pharmaceutical compositions containing the compounds, and method of treating the symptoms of benign prostatic hyperplasia using the compounds.

  本发明涉及一种新的1,4-二取代哌嗪衍生物I式及其药学上可接受的酸盐，具有优异的尿路选择性α1-肾上腺素受体拮抗活性，超过了先前描述的化合物。本发明的化合物有望用于治疗良性前列腺增生症（BPH）的症状。本发明还涉及制备新化合物的方法，含有该化合物的制药组合物，以及使用该化合物治疗良性前列腺增生症状的方法。
• 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE $G(A)1-ADRENOCEPTOR BLOCKERS
  申请人：RANBAXY LABORATORIES, LTD.

  公开号：EP1339682A1

  公开（公告）日：2003-09-03
• [EN] 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE DOLLAR G(A)1-ADRENOCEPTOR BLOCKERS<br/>[FR] DERIVES DE PIPERAZINE 1,4-DISUBSTITUES UTILES COMME BLOQUEURS UROSELECTIFS DES RECEPTEURS ALPHA1-ADRENERGIQUES
  申请人：RANBAXY LAB LTD

  公开号：WO2002044151A1

  公开（公告）日：2002-06-06

  The present invention relates to a novel 1,4-disubstituted piperazine derivatives of Formula I, and their pharmaceutically acceptable acid addition salts having excellent uro-selective α1-adrenoceptor antagonistic activity exceeding those of previously described compounds. The compounds of the present invention hold promise for treating the symptoms of benign prostatic hyperplasia (BPH). The invention also relates to methods for making the novel compounds, pharmaceutical compositions containing the compounds, and method of treating the symptoms of benign prostatic hyperplasia using the compounds.