2-[5-(4-amino-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide dihydrochloride | 554421-95-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[5-(4-amino-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide dihydrochloride
• 英文别名: 2-[5-(4-Amino-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide；2-[5-(4-aminobenzoyl)-1-methylpyrrol-2-yl]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
• CAS: 554421-95-3
• 化学式: C₃₂H₂₈Cl₂N₄O₃
• 分子量: 587.505
• InChiKey: IKBZKTIWBYTIOT-UHFFFAOYSA-N

物化性质

• 沸点：
  807.1±65.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  90.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙酰氯 、 2-[5-(4-amino-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide dihydrochloride 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 2-[5-(4-Acetylamino-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide
  参考文献：
  名称：

  Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators

  摘要：

  这项发明涉及新颖的烷基酰胺衍生物，作为布雷金肽受体拮抗剂，用于治疗布雷金肽调节的疾病，如疼痛、炎症、哮喘和过敏。此外，该发明涉及新颖的烷基酰胺衍生物，作为布雷金肽受体激动剂，用于治疗布雷金肽调节的疾病，如高血压等。

  公开号：

  US20040192720A1
• 作为产物：
  描述：

  4-氨基苯甲酰氯 在 4-二甲氨基吡啶 、 lithium hydroxide 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 生成 2-[5-(4-amino-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide dihydrochloride
  参考文献：
  名称：

  Synthesis and structure–Activity relationships of aroylpyrrole alkylamide bradykinin (B2) antagonists

  摘要：

  The synthesis and structure-activity relationships of a novel series of aroylpyrrole alkylamindes as potent selective bradykinin 132 receptor antagonists are described. Several members of this series display nanomolar affinity at the B-2 receptor and show activity in an animal model of antinociception. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00104-5

文献信息

• Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：US07358261B2

  公开（公告）日：2008-04-15

  This invention is directed towards novel alkylamide derivatives as bradykinin receptor antagonists useful for the treatment of bradykinin modulated disorders such as pain, inflammation, asthma and allergy. Furthermore, the present invention is directed to novel alkylamide derivatives as bradykinin receptor agonists useful for the treatment of bradykinin modulated disorders such as hypertension and the like.

  本发明涉及新颖的烷基酰胺衍生物，作为布雷金肽受体拮抗剂，用于治疗布雷金肽调节的疾病，如疼痛、炎症、哮喘和过敏。此外，本发明涉及新颖的烷基酰胺衍生物，作为布雷金肽受体激动剂，用于治疗布雷金肽调节的疾病，如高血压等。
• NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1495017A2

  公开（公告）日：2005-01-12
• METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA
  申请人：SHIRE HUMAN GENETIC THERAPIES, INC.

  公开号：US20160030416A1

  公开（公告）日：2016-02-04

  Methods of treating B 2 -bradykinin receptor mediated angioedema in a subject by administering a composition containing a 8-(heteroarylmethoxy)quinolone compound, a 8-(arylmethoxy)quinoline compound, or a salt, a stereoisomer, a hydrate, or a solvate thereof. Oral formulations containing a 8-(heteroarylmethoxy)quinolone compound, a 8-(arylmethoxy)quinoline compound, or a salt, a stereoisomer, a hydrate, or a solvate thereof for the treatment of B 2 -bradykinin receptor mediated angioedema. Use of a composition containing a 8-(heteroarylmethoxy)quinolone compound, a 8-(arylmethoxy)quinoline compound, or a salt, a stereoisomer, a hydrate, or a solvate thereof for the manufacture of a medicament for the treatment and/or prevention of a B 2 -bradykinin receptor mediated angioedema.
• US6958349B2
  申请人：——

  公开号：US6958349B2

  公开（公告）日：2005-10-25
• US7358261B2
  申请人：——

  公开号：US7358261B2

  公开（公告）日：2008-04-15