8-chloro-11-[1-(tertiarybutoxycarbonylaminoacetyl)-4-piperidylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine | 117810-59-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并环庚烷吡啶
• 英文名称: 8-chloro-11-[1-(tertiarybutoxycarbonylaminoacetyl)-4-piperidylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
• 英文别名: 8-chloro-11-[1-(t-butoxycarbonylaminoacetyl)-4-piperidylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine；tert-butyl N-[2-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-oxoethyl]carbamate
• CAS: 117810-59-0
• 化学式: C₂₆H₃₀ClN₃O₃
• 分子量: 467.996
• InChiKey: GTXYUTCMCYHTIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-chloro-11-[1-(tertiarybutoxycarbonylaminoacetyl)-4-piperidylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine 以 1,4-二氧六环 、 盐酸 为溶剂， 生成 2-amino-1-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl]ethan-1-one
  参考文献：
  名称：

  Benzo[5,6]cycloheptapyridine compounds, compositions and method of

  摘要：

  苯并[5,6]环庚哌啶的衍生物，以及其药用可接受的盐和溶剂化合物被披露，具有抗过敏和抗炎活性。还描述了制备和使用这些化合物的方法。

  公开号：

  US05089496A1
• 作为产物：
  描述：

  氯雷他定 在 盐酸 、 乙胺嗪 、 1-羟基苯并三唑 作用下， 以 水 为溶剂， 生成 8-chloro-11-[1-(tertiarybutoxycarbonylaminoacetyl)-4-piperidylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
  参考文献：
  名称：

  Novel tricyclic aminoacetyl and sulfonamide inhibitors of Ras farnesyl protein transferase

  摘要：

  Novel tricyclic FPT inhibitors with submicromolar FPT activity are described. Greatly enhanced FPT activity is realized with phthaloyl derivatized amino compound 2k, which showed FPT inhibitory activity of IC50 = 0.66 mu M. Sulfonamides 5g and 50 were also found to be potent FPT inhibitor. SAR resulting from a variety of tricyclic amino acids and sulfonamide derivatives is discussed. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00558-6

文献信息

• Benzo(5,6)cycloheptapyridines, compositions and method of use
  申请人：SCHERING CORPORATION

  公开号：EP0270818A1

  公开（公告）日：1988-06-15

  Derivatives of benzo[5,6]cyclohepta pyridine, and pharmaceutically acceptable salts and solvates thereof are disclosed, which posses anti-allergic and anti-inflammatory activity. Methods for preparing and using the compounds are also described.

  本发明公开了苯并[5,6]环庚基吡啶的衍生物及其药学上可接受的盐和溶液，它们具有抗过敏和抗炎活性。还描述了制备和使用这些化合物的方法。
• Benzo(5,6)cycloheptapyridines, compositions and methods of use
  申请人：SCHERING CORPORATION

  公开号：EP0685476A1

  公开（公告）日：1995-12-06

  Derivatives of benzo[5,6]cyclohepta pyridine, and pharmaceutically acceptable salts and solvates thereof are disclosed, which possess anti-allergic and anti-inflammatory activity. Methods for preparing and using the compounds are also described.

  本发明公开了苯并[5,6]环庚基吡啶的衍生物及其药学上可接受的盐和溶液，它们具有抗过敏和抗炎活性。还描述了制备和使用这些化合物的方法。
• Loratadine and Analogues: Discovery and Preliminary Structure–Activity Relationship of Inhibitors of the Amino Acid Transporter B⁰AT2
  作者：Serena Cuboni、Christian Devigny、Bastiaan Hoogeland、Andrea Strasser、Sebastian Pomplun、Barbara Hauger、Georg Höfner、Klaus T. Wanner、Matthias Eder、Armin Buschauer、Florian Holsboer、Felix Hausch

  DOI：10.1021/jm501086v

  日期：2014.11.26

  B(0)AT2, encoded by the SLC6A15 gene, is a transporter for neutral amino acids that has recently been implicated in mood and metabolic disorders. It is predominantly expressed in the brain, but little is otherwise known about its function. To identify inhibitors for this transporter, we screened a library of 3133 different bioactive compounds. Loratadine, a clinically used histamine H1 receptor antagonist, was identified as a selective inhibitor of B(0)AT2 with an IC50 of 4 μM while being less active or inactive against several other members of the SLC6 family. Reversible inhibition of B(0)AT2 was confirmed by electrophysiology. A series of loratadine analogues were synthesized to gain insight into the structure-activity relationships. Our studies provide the first chemical tool for B(0)AT2.
• PIWINSKI, JOHN J.;GANGULY, ASHIT K.;GREEN, MICHAEL J.;VILLANI, FRANK J.;W+
  作者：PIWINSKI, JOHN J.、GANGULY, ASHIT K.、GREEN, MICHAEL J.、VILLANI, FRANK J.、W+

  DOI：——

  日期：——
• BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE
  申请人：SCHERING CORPORATION

  公开号：EP0330673A1

  公开（公告）日：1989-09-06