[4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid methyl ester | 210115-50-7

• 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: [4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid methyl ester
• 英文别名: [4-[2-methanesulfonylamino-ethyl]-phenyl]-acetic acid methyl ester；methyl 2-[4-[2-(methanesulfonamido)ethyl]phenyl]acetate
• CAS: 210115-50-7
• 化学式: C₁₂H₁₇NO₄S
• 分子量: 271.337
• InChiKey: MHPHSWBZVCWVQE-UHFFFAOYSA-N

物化性质

• 沸点：
  411.437±47.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.225±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid methyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 [4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid
  参考文献：
  名称：

  Arylacetamide κ opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity

  摘要：

  Some K opioid receptor agonists of the arylacetamide class, for example, ICI 199441 (1), were found to strongly inhibit the activity of cytochrome P450 2D6 (CYP2D6) (1: CYP2D6 IC50 = 26 nM). Certain analogs bearing a substituted sulfonylamino group, for example, 13, were discovered to have significantly reduced CYP2D6 inhibitory activity (13: CYP2D6 IC50 > 10 mu M) while displaying high affinity toward the cloned human K opioid receptor, good kappa/delta and kappa/mu selectivity, and potent in vitro and in vivo agonist activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.020
• 作为产物：
  描述：

  methyl 2-(4-(cyanomethyl)phenyl)acetate 在 palladium on activated charcoal 盐酸 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 25.0 ℃ 、482.63 kPa 条件下， 生成 [4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid methyl ester
  参考文献：
  名称：

  Arylacetamide κ opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity

  摘要：

  Some K opioid receptor agonists of the arylacetamide class, for example, ICI 199441 (1), were found to strongly inhibit the activity of cytochrome P450 2D6 (CYP2D6) (1: CYP2D6 IC50 = 26 nM). Certain analogs bearing a substituted sulfonylamino group, for example, 13, were discovered to have significantly reduced CYP2D6 inhibitory activity (13: CYP2D6 IC50 > 10 mu M) while displaying high affinity toward the cloned human K opioid receptor, good kappa/delta and kappa/mu selectivity, and potent in vitro and in vivo agonist activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.020

文献信息

• Prevention of loss and restoration of bone mass by certain prostaglandin agonists
  申请人：Pfizer Inc.

  公开号：US06288120B1

  公开（公告）日：2001-09-11

  Prostaglandin agonists of formula (I), in which, for example, A is a sulphonyl or acyl group, B is N or CH, M contains a ring and K and Q are linking groups, methods of using such prostaglandin agonists, pharmaceutical compositions containing such prostaglandin agonists and kits useful for the treatment of bone disorders including osteoporosis.

  前列腺素激动剂公式(I)，其中，例如，A是磺酰基或酰基，B是N或CH，M含有一个环，K和Q是连接基团，使用这种前列腺素激动剂的方法，包含这种前列腺素激动剂的药物组合物以及用于治疗包括骨质疏松症在内的骨病的试剂盒。
• Method for treating glaucoma
  申请人：Pfizer Products Inc.

  公开号：EP1000619A2

  公开（公告）日：2000-05-17

  Methods of using prostaglandin agonists for the reduction of intraocular pressure, and accordingly glaucoma.

  使用前列腺素激动剂降低眼内压和青光眼的方法。
• PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS
  申请人：PFIZER INC.

  公开号：EP0946501B1

  公开（公告）日：2006-05-31
• US6288120B1
  申请人：——

  公开号：US6288120B1

  公开（公告）日：2001-09-11
• US6344485B1
  申请人：——

  公开号：US6344485B1

  公开（公告）日：2002-02-05