SB 436811

• 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: SB 436811
• 英文别名: 3,4-Dichloro-N-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-benzamide；3,4-dichloro-N-[(3S)-1-[[4-(3-dimethylaminopropoxy)phenyl]methyl]pyrrolidin-3-yl]benzamide；3,4-dichloro-N-[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]benzamide
• 化学式: C₂₃H₂₉Cl₂N₃O₂
• 分子量: 450.408
• InChiKey: AMSSIFVGNFEEFU-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (3S)-1-(2-nitrobenzene)sulfonyl-3-BOC-aminopyrrolidine 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 SB 436811
  参考文献：
  名称：

  Aminoalkoxybenzyl pyrrolidines as novel human urotensin-II receptor antagonists

  摘要：

  High throughput screening of the corporate compound collection led to the discovery of a novel series of substituted aminoalkoxybenzyl pyrrolidines as human urotensin-II receptor antagonists. The synthesis, initial structure-activity relationships, and optimization of the initial hit that led to the identification of a truncated sub-series, represented by SB-436811 (1a), are described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.074

文献信息

• Urotensin-II receptor antagonists: Synthesis and SAR of N-cyclic azaalkyl benzamides
  作者：Jian Jin、Ming An、Anthony Sapienza、Nambi Aiyar、Diane Naselsky、Henry M. Sarau、James J. Foley、Kevin L. Salyers、Steven D. Knight、Richard M. Keenan、Ralph A. Rivero、Dashyant Dhanak、Stephen A. Douglas

  DOI：10.1016/j.bmcl.2008.06.019

  日期：2008.7

  SAR exploration of the central diamine, benzyl, and terminal aminoalkoxy regions of the N-cyclic azaalkyl benzamide series led to the identification of very potent human urotensin-II receptor antagonists such as 1a with a K(i) of 4 nM. The synthesis and structure-activity relationships (SAR) of N-cyclic azaalkyl benzamides are described.

  SAR探索N-环氮杂烷基苯甲酰胺系列的中央二胺，苄基和末端氨基烷氧基区域导致鉴定出非常有效的人urotensin-II受体拮抗剂，例如1a，K（i）为4 nM。描述了N-环氮杂烷基苯甲酰胺的合成和构效关系（SAR）。
• [EN] UROTENSIN-II RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RECEPTEUR D'UROTENSINE II
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2001045711A1

  公开（公告）日：2001-06-28

  The present invention relates to pyrrolyl and pyridyl derivatives, pharmaceutical compositions containing them and their use as inhibitors of urotensin II.

  本发明涉及吡咯基和吡啶基衍生物，含有它们的药物组合物以及它们作为尿腺素II抑制剂的用途。
• UROTENSIN-II RECEPTOR ANTAGONISTS
  申请人：SmithKline Beecham Corporation

  公开号：EP1244452A1

  公开（公告）日：2002-10-02
• EP1244452A4
  申请人：——

  公开号：EP1244452A4

  公开（公告）日：2003-01-15
• CARBOXAMIDE DERIVATES OF PYRROLIDINE AND PIPERIDINE AS UROTENSIN-II RECEPTOR ANTAGONISTS
  申请人：SmithKline Beecham Corporation

  公开号：EP1244452B1

  公开（公告）日：2003-09-17