(S)-[5-(2,2,5,7,8-Pentamethyl-chroman-6-sulfonylamino)-1-(thiazole-2-carbonyl)-pentyl]-carbamic acid tert-butyl ester | 201006-47-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (S)-[5-(2,2,5,7,8-Pentamethyl-chroman-6-sulfonylamino)-1-(thiazole-2-carbonyl)-pentyl]-carbamic acid tert-butyl ester
• 英文别名: Boc-Lys(Pmc)-thiazol-2-yl；tert-butyl N-[(2S)-1-oxo-6-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]-1-(1,3-thiazol-2-yl)hexan-2-yl]carbamate
• CAS: 201006-47-5
• 化学式: C₂₈H₄₁N₃O₆S₂
• 分子量: 579.782
• InChiKey: LXDGPYYRQWLUTF-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  160
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (S)-[5-(2,2,5,7,8-Pentamethyl-chroman-6-sulfonylamino)-1-(thiazole-2-carbonyl)-pentyl]-carbamic acid tert-butyl ester 在 盐酸 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Potent and selective bicyclic lactam inhibitors of thrombin: Part 3: P1′ modifications

  摘要：

  The synthesis and antithrombotic activity of a series of nonpeptide bicyclic thrombin inhibitors are described. We have explored the SAR around the P1' site. Modification of the P1' site has been found to affect potency and selectivity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00096-7
• 作为产物：
  描述：

  N-alpha-叔丁氧羰基-L-赖氨酸 在 sodium hydroxide 、 正丁基锂 、 四甲基乙二胺 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 2.0h， 生成 (S)-[5-(2,2,5,7,8-Pentamethyl-chroman-6-sulfonylamino)-1-(thiazole-2-carbonyl)-pentyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Potent and selective bicyclic lactam inhibitors of thrombin: Part 3: P1′ modifications

  摘要：

  The synthesis and antithrombotic activity of a series of nonpeptide bicyclic thrombin inhibitors are described. We have explored the SAR around the P1' site. Modification of the P1' site has been found to affect potency and selectivity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00096-7

文献信息

• US6291678B1
  申请人：——

  公开号：US6291678B1

  公开（公告）日：2001-09-18
• Potent and selective bicyclic lactam inhibitors of thrombin: Part 3: P1′ modifications
  作者：Janet S. Plummer、Kent A. Berryman、Cuiman Cai、Wayne L. Cody、John DiMaio、Annette M. Doherty、Scott Eaton、Jeremy J. Edmunds、Debra R. Holland、D. Lafleur、Sophie Levesque、Lakshmi S. Narasimhan、J.Ronald Rubin、Stephen T. Rapundalo、M.Arshad Siddiqui、A. Susser、Yves St-Denis、Peter Winocour

  DOI：10.1016/s0960-894x(99)00096-7

  日期：1999.3

  The synthesis and antithrombotic activity of a series of nonpeptide bicyclic thrombin inhibitors are described. We have explored the SAR around the P1' site. Modification of the P1' site has been found to affect potency and selectivity. (C) 1999 Elsevier Science Ltd. All rights reserved.