1,3-丙二醇,2-甲基-2-((4-(4-吗啉基)-6-丙基-1,3,5-三嗪-2-基)氨基)- | 126959-88-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1,3-丙二醇,2-甲基-2-((4-(4-吗啉基)-6-丙基-1,3,5-三嗪-2-基)氨基)-
• 英文名称: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
• CAS: 126959-88-4
• 化学式: C₄₇H₆₆N₁₂O₁₁
• 分子量: 975.1
• InChiKey: YIUBSFCQATYQJB-VCMDLEIESA-N

物化性质

• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  70
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  340
• 氢给体数：
  10
• 氢受体数：
  13

文献信息

• [EN] CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR<br/>[FR] AMIDES AROMATIQUES D'ACIDE CARBOXYLIQUE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE LA BRADYKININE B1
  申请人：BAYER PHARMA AG

  公开号：WO2018114786A1

  公开（公告）日：2018-06-28

  The present invention relates to carboxylic acid aromatic amides compounds of general formula (I) as described and defined herein, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a diseaseas a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）所述和定义的羧酸芳香酰胺化合物，以及包含该化合物的药物组合物和药物组合物的用途，用于制造用作治疗或预防疾病的药物组合物，作为唯一药剂或与其他活性成分组合使用。
• CARBOXYLIC ACID AROMATIC 1,2-CYCLOPROPYLAMIDES
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US20190177279A1

  公开（公告）日：2019-06-13

  The present invention relates to carboxylic acid aromatic 1,2-cyclopropylamides of general formula (I) as described and defined herein, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of neurogenic disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）所述和定义的芳香羧酸环丙胺酰胺，涉及包含该化合物的药物组合物和组合物，以及利用该化合物制备用于治疗或预防疾病的药物组合物，特别是神经源性疾病，作为唯一药剂或与其他活性成分组合使用。
• CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3558960A1

  公开（公告）日：2019-10-30
• TETRAZOLE CONTAINING COMPOUNDS
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20210317092A1

  公开（公告）日：2021-10-14

  The present invention relates to tetrazole containing compounds of general formula (I) as described and defined herein, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease syndrome, condition, or symptoms, in particular related to chronic pain and inflammation, as a sole agent or in combination with other active ingredients.