Phenethyl-Thiocarbamic Acid O-3-[4(t-butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-1-ethyl-propyl Ester | 402469-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Phenethyl-Thiocarbamic Acid O-3-[4(t-butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-1-ethyl-propyl Ester
• 英文别名: Phenethyl-Thiocarbamic acid O-3-[4-(t-butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-1-ethyl-propylester；O-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-yl] N-(2-phenylethyl)carbamothioate
• CAS: 402469-25-4
• 化学式: C₂₇H₄₁NO₃SSi
• 分子量: 487.779
• InChiKey: TVBSOHJPELTRPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.92
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Phenethyl-Thiocarbamic Acid O-3-[4(t-butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-1-ethyl-propyl Ester 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以91.9%的产率得到Phenethyl-Thiocarbamic Acid O-[1-ethyl-3-(4-hydroxy-3-methoxy-phenyl)-propyl]ester
  参考文献：
  名称：

  Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same

  摘要：

  本发明涉及针对辣椒素受体的拮抗剂以及含有该拮抗剂的药物组合物。作为与辣椒素受体活性相关的疾病，可以列举出疼痛、急性疼痛、慢性疼痛、神经痛、术后疼痛、偏头痛、关节痛、神经病、神经损伤、糖尿病性神经病、神经退行性疾病、神经性皮肤疾病、中风、膀胱过敏、肠易激综合症、哮喘或慢性阻塞性肺疾病等呼吸道疾病、皮肤、眼睛或粘膜刺激、发热、胃十二指肠溃疡、炎症性肠病和炎症性疾病。本发明提供了用于预防或治疗这些疾病的药物组合物。

  公开号：

  US20030203944A1
• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 Phenethyl-Thiocarbamic Acid O-3-[4(t-butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-1-ethyl-propyl Ester
  参考文献：
  名称：

  Chain-Branched acyclic phenethylthiocarbamates as vanilloid receptor antagonists

  摘要：

  A series of acyclic phenethylthiocarbamate derivatives have been synthesized, and their antagonist effect against vanilloid receptor tested. Chain branching led to a significant change in antagonist activity of the parent molecule. Ethyl-branched le showed a 6.3 muM Of IC50 value in Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00178-1

文献信息

• Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same
  申请人：——

  公开号：US20030203944A1

  公开（公告）日：2003-10-30

  The present invention relates to an antagonist against vanilloid receptor and the pharmaceutical compositions containing the same. As diseases associated with the activity of vanilloid receptor, pain, acute pain, chronic pain, neuropathic pain, post-operative pain, migraine, arthralgia, neuropathies, nerve injury, diabetic neuropathy, neurodegeneration, neurotic skin disorder, stroke, urinary bladder hypersensitiveness, irritable bowel syndrome, a respiratory disorder such as asthma or chronic obstructive pulmonary disease, irritation of skin, eye or mucous membrane, fevescence, stomach-duodenal ulcer, inflammatory bowel disease and inflammatory diseases can be enumerated. The present invention provides a pharmaceutical composition for prevention or treatment of these diseases.

  本发明涉及针对辣椒素受体的拮抗剂以及含有该拮抗剂的药物组合物。作为与辣椒素受体活性相关的疾病，可以列举出疼痛、急性疼痛、慢性疼痛、神经痛、术后疼痛、偏头痛、关节痛、神经病、神经损伤、糖尿病性神经病、神经退行性疾病、神经性皮肤疾病、中风、膀胱过敏、肠易激综合症、哮喘或慢性阻塞性肺疾病等呼吸道疾病、皮肤、眼睛或粘膜刺激、发热、胃十二指肠溃疡、炎症性肠病和炎症性疾病。本发明提供了用于预防或治疗这些疾病的药物组合物。
• Chain-Branched acyclic phenethylthiocarbamates as vanilloid receptor antagonists
  作者：JungWha Yoon、HyeYoung Choi、Hyun Joo Lee、Chong Hyun Ryu、Hyeung-geun Park、Young-ger Suh、Uhtaek Oh、Yeon Su Jeong、Jin Kyu Choi、Young-Ho Park、Hee-Doo Kim

  DOI：10.1016/s0960-894x(03)00178-1

  日期：2003.5

  A series of acyclic phenethylthiocarbamate derivatives have been synthesized, and their antagonist effect against vanilloid receptor tested. Chain branching led to a significant change in antagonist activity of the parent molecule. Ethyl-branched le showed a 6.3 muM Of IC50 value in Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.