(3R)-3-(1,3-苯并二氧杂环戊烯-5-基)-N-[(6-甲氧基-2-萘基)磺酰基]-b-丙氨酰-4-[[(2R,6S)-2,6-二甲基-1-哌啶基]甲基]-N-甲基-N-(1-甲基乙基)-D-苯丙氨酰胺 | 465539-70-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 中文名称: (3R)-3-(1,3-苯并二氧杂环戊烯-5-基)-N-[(6-甲氧基-2-萘基)磺酰基]-b-丙氨酰-4-[[(2R,6S)-2,6-二甲基-1-哌啶基]甲基]-N-甲基-N-(1-甲基乙基)-D-苯丙氨酰胺
• 英文名称: SSR240612 free base
• 英文别名: (2R)-2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-[(6-methoxynaphthalen-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide
• CAS: 465539-70-2
• 化学式: C₄₂H₅₂N₄O₇S
• 分子量: 757.0
• InChiKey: QGWIQIAWOCJRPI-WSCVWKGISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  54
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same
  申请人：——

  公开号：US20040116353A1

  公开（公告）日：2004-06-17

  The invention relates to compounds of formula: 1 These compounds show affinity for the bradykinin receptors with selectivity towards the B 1 receptors; they may be used for the preparation of medicinal products intended for treating or preventing inflammation pathologies and persistent or chronic inflammatory diseases.

  本发明涉及以下化合物的公式：1 这些化合物表现出对缓激肽受体的亲和力，具有选择性作用于B1受体；可以用于制备用于治疗或预防炎症病理和持续或慢性炎症性疾病的药物。
• Kinin antagonists for treating bladder dysfunction
  申请人：Jerini AG

  公开号：EP1741444A1

  公开（公告）日：2007-01-10

  The present invention is related to the use of a kinin receptor antagonist for the manufacture of a medicament for the treatment and/or prevention of bladder dysfunction, whereby the kinin receptor is selected from the group comprising B1 and B2 receptors.

  本发明涉及使用激肽受体拮抗剂制造治疗和/或预防膀胱功能障碍的药物，其中激肽受体选自包括 B1 和 B2 受体的组。
• DERIVES DE N-(ARYLSULFONYL)BETA-AMINOACIDES COMPORTANT UN GROUPE AMINOETHYLE SUBSTITUE, LEUR PROCEDE DE PREPARATION ET LES COMPOSITIONS PHARMACEUTIQUES EN CONTENANT
  申请人：Sanofi-Aventis

  公开号：EP1373233B1

  公开（公告）日：2007-09-05
• Kinin Antagonists For Treating Bladder Dysfunction
  申请人：Gibson Christoph

  公开号：US20080221039A1

  公开（公告）日：2008-09-11

  The present invention is related to the use of a kinin receptor antagonist for the manufacture of a medicament for the treatment and/or prevention of bladder dysfunction, whereby the kinin receptor is selected from the group comprising B1 and B2 receptors.
• DUAL ANTAGONISM OF ENDOTHELIN TYPE A AND BRADYKININ B1 RECEPTORS FOR TREATING PAIN AND PREVENTING CARTILAGE DEGRADATION
  申请人：MOLDOVAN Florina

  公开号：US20120202744A1

  公开（公告）日：2012-08-09

  The present invention relates to the field of anatomy, and more particularly to the control of pain and to the prevention and treatment of osteoarthritic cartilage degradation. Described herein are methods for treating pain which comprise administering to a subject in need a combination of (i) an antagonist of the endothelin type A receptor (ETA) and (ii) an antagonist of the bradykinin B1 receptor (BKB1). Also described are methods for preventing osteoarthritic cartilage degradation and pharmaceutical compositions for treating pain, for preventing osteoarthritic cartilage degradation, and/or for preventing osteoarthritic joint inflammation, in subjects.