N-(5-((3S)-3-(4-amino-5-chloro-2-methoxybenzoylaminomethyl)pyrrolidin-1-yl)pentyl)-1-methyl-1 H-indole-3-carboxamide | 173339-88-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(5-((3S)-3-(4-amino-5-chloro-2-methoxybenzoylaminomethyl)pyrrolidin-1-yl)pentyl)-1-methyl-1 H-indole-3-carboxamide
• 英文别名: N-[5-[(3S)-3-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]pyrrolidin-1-yl]pentyl]-1-methylindole-3-carboxamide
• CAS: 173339-88-3
• 化学式: C₂₈H₃₆ClN₅O₃
• 分子量: 526.079
• InChiKey: QOLKVIJOCFGGNN-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(5-((3S)-3-tert-butoxycarbonylaminomethylpyrrolidin-1-yl)pentyl)-1-methyl-1 H-indole-3-carboxamide 、 4-氨基-5-氯-2-甲氧基苯甲酸 以to give N-(5-((3S)-3-(4-amino-5-chloro-2-methoxybenzoylaminomethyl)pyrrolidin-1-yl)pentyl)-1-methyl-1 H-indole-3-carboxamide的产率得到N-(5-((3S)-3-(4-amino-5-chloro-2-methoxybenzoylaminomethyl)pyrrolidin-1-yl)pentyl)-1-methyl-1 H-indole-3-carboxamide
  参考文献：
  名称：

  Benzoic acid compounds and use thereof as medicaments

  摘要：

  本发明涉及苯甲酸化合物的配方##STR1##其中每个符号如规范中所定义，其光学异构体和药学上可接受的盐；包含该化合物和药学上可接受的添加剂的制药组合物；以及将该化合物作为活性成分的5-羟色胺4受体激动剂、胃肠动力药和用于各种胃肠疾病的治疗剂。本发明的化合物具有对5-羟色胺4受体的高选择性亲和力，并显示出激动作用。因此，它们是用于预防和治疗各种胃肠疾病、中枢神经紊乱、心脏功能紊乱、泌尿系统疾病等的有用药物，以及用于增加疼痛阈值的有用抗痛药。

  公开号：

  US05864039A1

文献信息

• BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0774460A1

  公开（公告）日：1997-05-21

  Benzoic acid compounds of the formula wherein each symbol is as defined in the specification, optical isomers thereof and pharmaceutically acceptable salts thereof; pharmaceutical composition comprising this compound and pharmaceutically acceptable additive; and serotonin 4 receptor agonists, gastrointestinal prokinetic agents and therapeutic agents for various gastrointestinal diseases, which comprise this compound as active ingredient. The compounds of the present invention selectively activate serotonin 4 receptor, and are useful medications for the prophylaxis and treatment of various gastrointestinal diseases (e.g., delayed gastric emptying, indigestion, meteorism, reflux esophagitis, abdominal indefinite complaint, intestinal pseudoileus, constipation, acute or chronic gastritis, gastric or duodenal ulcer, Crohn's disease, non-ulcer dyspepsia, ulcerative colitis, postgastrectomy syndrome, postoperative digestive function failure, gastrointestinal injury due to gastric neurosis, gastroptosis, diabetes, etc., and irritable bowel syndrome), central nervous disorders (e.g., schizophrenia, depression, anxiety, disturbance of memory and dementia), cardiac function disorders (e.g., cardiac failure and myocardial ischemia), urinary diseases (e.g., dysuria caused by urinary obstruction, ureterolith or prostatomegaly) and the like.

  式中的苯甲酸化合物 其中各符号如说明书中所定义，其光学异构体及其药学上可接受的盐；由该化合物和药学上可接受的添加剂组成的药物组合物；以及由该化合物作为活性成分的5-羟色胺4受体激动剂、胃肠促动力药和各种胃肠道疾病的治疗剂。 本发明的化合物可选择性地激活 5-羟色胺 4 受体，是预防和治疗各种胃肠道疾病（如胃排空延迟、消化不良等）的有效药物、胃排空延迟、消化不良、陨石症、反流性食管炎、腹部不定时主诉、肠假痔、便秘、急性或慢性胃炎、胃或十二指肠溃疡、克罗恩病、非溃疡性消化不良、溃疡性结肠炎、胃切除术后综合征、术后消化功能衰竭、胃神经官能症引起的胃肠道损伤、胃下垂、糖尿病等）、肠易激综合征（肠易激综合征）、胃溃疡、胃炎、胃溃疡等）、和肠易激综合征引起的胃肠道损伤）、中枢神经紊乱（如精神分裂症、抑郁症、焦虑症、记忆障碍和痴呆症）、心脏功能紊乱（如心力衰竭和心肌缺血）、泌尿系统疾病（如尿路梗阻、输尿管结石或前列腺肥大引起的排尿困难）等。
• US5864039A
  申请人：——

  公开号：US5864039A

  公开（公告）日：1999-01-26
• Benzoic acid compounds and use thereof as medicaments
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US05864039A1

  公开（公告）日：1999-01-26

  Benzoic acid compounds of the formula ##STR1## wherein each symbol is as defined in the specification, optical isomers thereof and pharmaceutically acceptable salts thereof; pharmaceutical composition comprising this compound and pharmaceutically acceptable additive; and serotonin 4 receptor agonists, gastrointestinal prokinetic agents and therapeutic agents for various gastrointestinal diseases, which comprise this compound as active ingredient. The compounds of the present invention have high and selective affinity for serotonin 4 receptor, and show agonistic effects thereon. Accordingly, they are useful medications for the prophylaxis and treatment of various gastrointestinal diseases, central nervous disorders, cardiac function disorders, urinary diseases, and the like, as well as useful anti-nociceptors for analgesic use which increase threshold of pain.

  苯甲酸化合物的化学式为##STR1##，其中每个符号如规范中定义，其光学异构体及其药用可接受盐；包括该化合物和药用可接受添加剂的药物组合物；以及将该化合物作为活性成分的5-羟色胺4受体激动剂、胃肠促动力剂和用于各种胃肠疾病的治疗剂。本发明的化合物具有对5-羟色胺4受体的高度和选择性亲和力，并显示出激动效应。因此，它们可用于预防和治疗各种胃肠疾病、中枢神经障碍、心脏功能障碍、泌尿系统疾病等，同时还可用作提高疼痛阈值的镇痛用途的有用抗痛觉剂。