(3-hydroxy-3-methyloctyl)(triphenyl)phosphonium iodide | 854000-12-7

• 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: (3-hydroxy-3-methyloctyl)(triphenyl)phosphonium iodide
• 英文别名: (3-Hydroxy-3-methyloctyl)(triphenyl)phosphonium iodide；(3-hydroxy-3-methyloctyl)-triphenylphosphanium;iodide
• CAS: 854000-12-7
• 化学式: C₂₇H₃₄OP*I
• 分子量: 532.445
• InChiKey: GNVLYBYZKHTXSX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 2-({2-[(1R,2S,5S)-2-(acetyloxy)-5-formylcyclopentyl]ethyl}thio)-1,3-thiazole-4-carboxylate 、 (3-hydroxy-3-methyloctyl)(triphenyl)phosphonium iodide 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.0h， 生成 ethyl 2-[(2-{(1R,2S,5R)-2-(acetyloxy)-5-[(1E)-4-hydroxy-4-methyl-1-nonenyl]cyclopentyl}ethyl)thio]-1,3-thiazole-4-carboxylate
  参考文献：
  名称：

  EP1707208

  摘要：

  公开号：

文献信息

• Blood flow promoters for cauda equina tissues
  申请人：Ohmoto Kazuyuki

  公开号：US20070129327A1

  公开（公告）日：2007-06-07

  It is intended to provide highly safe and efficacious blood flow promoters for cauda equina tissues. Among prostaglandin-like compounds having a weak hypotensive effect, compounds having an effect of promoting the blood flow in cauda equina tissues (excluding limaprost) are useful as highly safe blood flow promoters for cauda equina tissues and, therefore, are efficacious in preventing and/or treating lumbar pain, lower limb pain, lower limb palsy, intermittent claudication, vesicorectal failure, hypogonadism, etc. caused by cauda equina injuries.

  旨在为马尾神经组织提供高度安全和有效的血流促进剂。在具有弱降压作用的前列腺素类似化合物中，具有促进马尾神经组织血流的作用的化合物（不包括利马前列素）作为高度安全的马尾神经组织血流促进剂是有用的，并且在预防和/或治疗由马尾神经损伤引起的腰痛、下肢疼痛、下肢麻痹、间歇性跛行、膀胱直肠功能障碍、性腺功能减退等方面具有疗效。
• BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES
  申请人：Ohmoto Kazuyuki

  公开号：US20110015238A1

  公开（公告）日：2011-01-20

  It is intended to provide highly safe and efficacious blood flow promoters for cauda equina tissues. Among prostaglandin-like compounds having a weak hypotensive effect, compounds having an effect of promoting the blood flow in cauda equina tissues (excluding limaprost) are useful as highly safe blood flow promoters for cauda equina tissues and, therefore, are efficacious in preventing and/or treating lumbar pain, lower limb pain, lower limb palsy, intermittent claudication, vesicorectal failure, hypogonadism, etc. caused by cauda equina injuries.

  旨在为马尾神经组织提供高度安全和有效的促进血流剂。在具有弱降压作用的前列腺素类化合物中，具有促进马尾神经组织血流的作用的化合物（不包括利马前列素）作为高度安全的促进马尾神经组织血流的剂，因此，在预防和/或治疗由马尾神经损伤引起的腰痛、下肢疼痛、下肢瘫痪、间歇性跛行、膀胱直肠功能障碍、性腺功能减退等方面具有疗效。
• Synthesis and evaluation of a potent, well-balanced EP 2 /EP 3 dual agonist
  作者：Akihiro Kinoshita、Masato Higashino、Koji Yoshida、Yoshiyuki Aratani、Akito Kakuuchi、Keisuke Hanada、Hiroyuki Takeda、Atsushi Naganawa、Hidekazu Matsuya、Kazuyuki Ohmoto

  DOI：10.1016/j.bmc.2017.11.035

  日期：2018.1

  A highly potent and well-balanced dual agonist for the EP2 and EP3 receptors is described. Optimization of the lead compound was accomplished in consideration of the relative agonist activity against each EP subtype receptor and the pharmacokinetic profile. As the result, 2-[(2-(1R,2R)-2-[(1E,4S)-5-cyclopentyl-4-hydroxy-4-methyl-1-penten-1-yl]-5-oxocyclopentyl}eth-yl)thio]-1,3-thiazole-4-carboxylic acid (10) showed excellent potency (human EC50 EP2 = 1.1 nM, EP3 = 1.0 nM) with acceptable selectivity over the EP1 and EP4 subtypes (> 2000-fold). Further fine-tuning of compound 10 led to identification of ONO-8055 as a clinical candidate. ONO-8055 was effective at an extremely low dose (0.01 mg/kg, po, bid) in rats, and dose-dependently improved voiding dysfunction in a monkey model of underactive bladder (UAB). ONO-8055 is expected to be a novel and highly promising drug for UAB. (C) 2017 Elsevier Ltd. All rights reserved.
• US7833995B2
  申请人：——

  公开号：US7833995B2

  公开（公告）日：2010-11-16
• US8501793B2
  申请人：——

  公开号：US8501793B2

  公开（公告）日：2013-08-06