4-(4-chlorophenyl)-1-[3-(11-aminomethyl-6,11-dihydrodibenzo[b,e]thiepin-11-yl)propyl]piperidin-4-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 4-(4-chlorophenyl)-1-[3-(11-aminomethyl-6,11-dihydrodibenzo[b,e]thiepin-11-yl)propyl]piperidin-4-ol
• 英文别名: 1-[3-(11-aminomethyl-6,11-dihydrodibenzo[b,e]thiepin-11-yl)propyl]-4-(4-chlorophenyl)piperidin-4-ol；1-[3-[11-(aminomethyl)-6H-benzo[c][1]benzothiepin-11-yl]propyl]-4-(4-chlorophenyl)piperidin-4-ol
• 化学式: C₂₉H₃₃ClN₂OS
• 分子量: 493.113
• InChiKey: GXARNOSTJKNQCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  74.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Chemokine receptor antagonists and methods of use therefor
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20020151553A1

  公开（公告）日：2002-10-17

  Disclosed is a method of treating a subject with a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to the subject a therapeutically effective amount of a compound represented by the following structural formula: 1 and physiologically acceptable salts thereof. Z is a cycloalkyl or non-aromatic heterocyclic ring group fused to one or more carbocyclic aromatic rings and/or heteroaromatic rings, wherein each ring in Z is independently substituted or unsubstituted; Y is a covalent bond, —O— or —CO—; n is an integer from one to about five; X is a covalent bond or —CO—; and M is >NR 2 , >CR 1 R 2 ; R 1 is —H, —OH, an aliphatic group, —O—(aliphatic group), —SH or —S—(aliphatic group); R 2 is an aliphatic group, a substituted aliphatic group, an aromatic group, a substituted aromatic group, a benzylic group, a substituted benzylic group, a non-aromatic heterocyclic group or a substituted non-aromatic heterocyclic group.

  本发明涉及一种治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向患者投与以下结构式所表示的化合物的治疗有效量及其生理上可接受的盐：1 其中，Z是一个环烷基或非芳香族杂环环基，与一个或多个碳环芳香族环和/或杂环芳香族环融合，其中Z中的每个环都是独立取代或未取代的；Y是共价键，-O-或-CO-；n是从1到约5的整数；X是共价键或-CO-；M是> NR2，> CR1R2；R1是-H，-OH，脂肪基，-O-（脂肪基），-SH或-S-（脂肪基）；R2是脂肪基，取代脂肪基，芳香族基，取代芳香族基，苄基，取代苄基，非芳香族杂环基或取代非芳香族杂环基。
• US6323206B1
  申请人：——

  公开号：US6323206B1

  公开（公告）日：2001-11-27
• US6433165B1
  申请人：——

  公开号：US6433165B1

  公开（公告）日：2002-08-13