BMS-196085 | 170686-10-9

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 石蒜科生物碱
• 英文名称: BMS-196085
• 英文别名: Methanesulfonamide, N-(5-((1R)-2-(((1R)-1-(4-(difluoromethoxy)phenyl)-2-phenylethyl)amino)-1-hydroxyethyl)-2-hydroxyphenyl)-；N-[5-[(1R)-2-[[(1R)-1-[4-(difluoromethoxy)phenyl]-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
• CAS: 170686-10-9
• 化学式: C₂₄H₂₆F₂N₂O₅S
• 分子量: 492.544
• InChiKey: XWLVOJZVWRCRMD-OFNKIYASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-(二氟甲氧基)苯甲醛 在 palladium on activated charcoal lead(IV) acetate 、 盐酸 、 cerium(III) chloride 、 氢气 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 为溶剂， 生成 BMS-196085
  参考文献：
  名称：

  BMS-196085: A potent and selective full agonist of the human β3 adrenergic receptor

  摘要：

  A series of 4-hydroxy-3-methylsulfonanilido-1,2-diarylethylamines were prepared and evaluated for their human beta (3) adrenergic receptor agonist activity. SAR studies led to the identification of BMS-196085 (25), a potent beta (3) full agonist (K-i = 21 nM, 95% activation) with partial agonist (45%) activity at the beta (1) receptor. Based on its desirable in vitro and in vivo properties, BMS-196085 was chosen for clinical evaluation. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00629-1

文献信息

• Methods and Intermediates Useful for the Preparation of alpha-Branched Aryl Phthalimides and alpha-Branched Aryl Amines
  申请人：Ripon College

  公开号：US20160200680A1

  公开（公告）日：2016-07-14

  The invention provides methods and intermediates that are useful for preparing α-branched aryl phthalimides and α-branched aryl amines.

  这项发明提供了用于制备α-支链芳基邻苯二酰亚胺和α-支链芳基胺的方法和中间体。
• Catecholamine surrogates useful as beta 3 agonists
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP0659737B1

  公开（公告）日：2003-03-26
• US9701633B2
  申请人：——

  公开号：US9701633B2

  公开（公告）日：2017-07-11
• BMS-196085: A potent and selective full agonist of the human β3 adrenergic receptor
  作者：A.V. Gavai、P.M. Sher、A.B. Mikkilineni、K.M. Poss、P.J. McCann、R.N. Girotra、L.G. Fisher、G. Wu、M.S. Bednarz、A. Mathur、T.C. Wang、C.Q. Sun、D.A. Slusarchyk、S. Skwish、G.T. Allen、D.E. Hillyer、B.H. Frohlich、B.E. Abboa-Offei、M. Cap、T.L. Waldron、R.J. George、B. Tesfamariam、T.W. Harper、C.P. Ciosek、D.A. Young、K.E. Dickinson、A.A. Seymour、C.M. Arbeeny、W.N. Washburn

  DOI：10.1016/s0960-894x(01)00629-1

  日期：2001.12

  A series of 4-hydroxy-3-methylsulfonanilido-1,2-diarylethylamines were prepared and evaluated for their human beta (3) adrenergic receptor agonist activity. SAR studies led to the identification of BMS-196085 (25), a potent beta (3) full agonist (K-i = 21 nM, 95% activation) with partial agonist (45%) activity at the beta (1) receptor. Based on its desirable in vitro and in vivo properties, BMS-196085 was chosen for clinical evaluation. (C) 2001 Elsevier Science Ltd. All rights reserved.