[(4-(Bismethanesulfonyl)amino-phenyl)-(2,2,2-trifluoro-acetyl)-amino]-acetic acid methyl ester | 851680-25-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(4-(Bismethanesulfonyl)amino-phenyl)-(2,2,2-trifluoro-acetyl)-amino]-acetic acid methyl ester
• 英文别名: methyl 2-[4-[bis(methylsulfonyl)amino]-N-(2,2,2-trifluoroacetyl)anilino]acetate
• CAS: 851680-25-6
• 化学式: C₁₃H₁₅F₃N₂O₇S₂
• 分子量: 432.399
• InChiKey: BWWNKGOLKVOLGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  [(4-(Bismethanesulfonyl)amino-phenyl)-(2,2,2-trifluoro-acetyl)-amino]-acetic acid methyl ester 在 lithium hydroxide 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 生成 N-{2-[(S)-3-hydroxy-pyrrolidin-1-yl]-(S)-1-phenyl-ethyl}-2-(4-methanesulfonylamino-phenylamino)-N-methyl-acetamide
  参考文献：
  名称：

  Novel phenylamino acetamide derivatives as potent and selective κ opioid receptor agonists

  摘要：

  A novel series of phenylamino acetamide derivatives was synthesized. These amides were shown to be potent and selective kappa opioid receptor agonists. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.034
• 作为产物：
  描述：

  2-(4-硝基苯基氨基)乙酸 在 palladium on activated charcoal 盐酸 、 氢气 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 [(4-(Bismethanesulfonyl)amino-phenyl)-(2,2,2-trifluoro-acetyl)-amino]-acetic acid methyl ester
  参考文献：
  名称：

  Novel phenylamino acetamide derivatives as potent and selective κ opioid receptor agonists

  摘要：

  A novel series of phenylamino acetamide derivatives was synthesized. These amides were shown to be potent and selective kappa opioid receptor agonists. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.034

文献信息

• Amide derivatives and methods of their use
  申请人：Dolle E. Roland

  公开号：US20050107355A1

  公开（公告）日：2005-05-19

  Amide derivatives of the general formulae Ia and Ib: are disclosed. Pharmaceutical compositions containing these compounds, and methods for their use, inter alia, for treating and/or preventing gastrointestinal disorders, pain, and pruritus are also disclosed.

  一般式Ia和Ib的酰胺衍生物已被披露。还披露了含有这些化合物的药物组合物，以及用于治疗和/或预防胃肠道疾病、疼痛和瘙痒等的方法。
• Novel phenylamino acetamide derivatives as potent and selective κ opioid receptor agonists
  作者：Guo-Hua Chu、Minghua Gu、Joel A. Cassel、Serge Belanger、Gabriel. J. Stabley、Robert N. DeHaven、Nathalie Conway-James、Mike Koblish、Patrick J. Little、Diane L. DeHaven-Hudkins、Roland E. Dolle

  DOI：10.1016/j.bmcl.2005.10.034

  日期：2006.2

  A novel series of phenylamino acetamide derivatives was synthesized. These amides were shown to be potent and selective kappa opioid receptor agonists. (c) 2005 Elsevier Ltd. All rights reserved.