1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine benzenesulfonic acid salt | 894776-25-1

• 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: 1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine benzenesulfonic acid salt
• 英文别名: 1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine benzenesulfonate；benzenesulfonic acid;1-(cyclopropylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
• CAS: 894776-25-1
• 化学式: C₆H₆O₃S*C₂₄H₃₈N₂
• 分子量: 512.757
• InChiKey: BJPMQKMQMMXNKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.47
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  69.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine 、 苯磺酸 在 乙酸乙酯 、 乙醚 作用下， 以 甲醇 为溶剂， 以gave 425 mg of the title compound as colorless crystals的产率得到1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine benzenesulfonic acid salt
  参考文献：
  名称：

  Crystal and Salt of 1-Cyclopropylmethyl-4-[2-(3,3,5,5-Tetramethylcyclohexyl)Phenyl]Piperazine

  摘要：

  1-环丙基甲基-4-[2-(3,3,5,5-四甲基环己基)苯基]哌嗪的盐和晶体具有极好的细胞黏附抑制作用和细胞浸润抑制作用，可用作治疗或预防与白细胞黏附和浸润有关的各种炎症性疾病和自身免疫性疾病的药物，例如炎症性肠病（尤其是溃疡性结肠炎或克罗恩病）、肠易激综合征、类风湿性关节炎、银屑病、多发性硬化症、哮喘和特应性皮炎。

  公开号：

  US20080161566A1

文献信息

• Crystal and salt of 1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07910734B2

  公开（公告）日：2011-03-22

  Salts and crystals of 1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine have excellent cell adhesion inhibitory action and cell infiltration inhibitory action, and are useful as therapeutic or prophylactic agents for various inflammatory diseases and autoimmune diseases associated with adhesion and infiltration of leukocytes, such as inflammatory bowel disease (particularly ulcerative colitis or Crohn's disease), irritable bowel syndrome, rheumatoid arthritis, psoriasis, multiple sclerosis, asthma and atopic dermatitis.

  1-环丙基甲基-4-[2-(3,3,5,5-四甲基环己基)苯基]哌嗪的盐和晶体具有优异的细胞黏附抑制作用和细胞浸润抑制作用，并可用作治疗或预防与白细胞黏附和浸润有关的各种炎症性疾病和自身免疫性疾病的药物，例如炎症性肠病（尤其是溃疡性结肠炎或克罗恩病）、肠易激综合征、类风湿性关节炎、银屑病、多发性硬化症、哮喘和特应性皮炎。
• CRYSTAL AND SALT OF 1-CYCLOPROPYLMETHYL-4-Ý2-(3,3,5,5)-TETRAMETHYLCYCLOHEXYL)PHENYL¨PIPERAZINE
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1832580A1

  公开（公告）日：2007-09-12

  Salts and crystals of 1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine have excellent cell adhesion inhibitory action and cell infiltration inhibitory action, and are useful as therapeutic or prophylactic agents for various inflammatory diseases and autoimmune diseases associated with adhesion and infiltration of leukocytes, such as inflammatory bowel disease (particularly ulcerative colitis or Crohn's disease), irritable bowel syndrome, rheumatoid arthritis, psoriasis, multiple sclerosis, asthma and atopic dermatitis.

  1- 环丙基甲基-4-[2-(3,3,5,5-四甲基环己基)苯基]哌嗪的盐类和晶体具有极佳的细胞粘附抑制作用和细胞浸润抑制作用，可用作与白细胞粘附和浸润有关的各种炎症性疾病和自身免疫性疾病的治疗剂或预防剂、如炎症性肠病（特别是溃疡性结肠炎或克罗恩病）、肠易激综合征、类风湿性关节炎、银屑病、多发性硬化症、哮喘和特应性皮炎。
• WO2006/68058
  申请人：——

  公开号：——

  公开（公告）日：——
• US7910734B2
  申请人：——

  公开号：US7910734B2

  公开（公告）日：2011-03-22
• Crystal and Salt of 1-Cyclopropylmethyl-4-[2-(3,3,5,5-Tetramethylcyclohexyl)Phenyl]Piperazine
  申请人：Kotake Makoto

  公开号：US20080161566A1

  公开（公告）日：2008-07-03

  Salts and crystals of 1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine have excellent cell adhesion inhibitory action and cell infiltration inhibitory action, and are useful as therapeutic or prophylactic agents for various inflammatory diseases and autoimmune diseases associated with adhesion and infiltration of leukocytes, such as inflammatory bowel disease (particularly ulcerative colitis or Crohn's disease), irritable bowel syndrome, rheumatoid arthritis, psoriasis, multiple sclerosis, asthma and atopic dermatitis.

  1-环丙基甲基-4-[2-(3,3,5,5-四甲基环己基)苯基]哌嗪的盐和晶体具有极好的细胞黏附抑制作用和细胞浸润抑制作用，可用作治疗或预防与白细胞黏附和浸润有关的各种炎症性疾病和自身免疫性疾病的药物，例如炎症性肠病（尤其是溃疡性结肠炎或克罗恩病）、肠易激综合征、类风湿性关节炎、银屑病、多发性硬化症、哮喘和特应性皮炎。