2-(2-((2R)-2-heptylaminomethyl-5-oxopyrrolidin-1-yl)ethylthio)-1,3-thiazole-4-carboxylic acid butyl ester | 597573-59-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2-((2R)-2-heptylaminomethyl-5-oxopyrrolidin-1-yl)ethylthio)-1,3-thiazole-4-carboxylic acid butyl ester
• 英文别名: butyl 2-[2-[(2R)-2-[(heptylamino)methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylate
• CAS: 597573-59-6
• 化学式: C₂₂H₃₇N₃O₃S₂
• 分子量: 455.686
• InChiKey: RUQRXNKONBIKEC-GOSISDBHSA-N

物化性质

• 沸点：
  596.7±53.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  30
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(2-((2R)-2-formyl-5-oxopyrrolidin-1-yl)ethylthio)-1,3-thiazole-4-carboxylic acid butyl ester 、 庚胺 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 2-(2-((2R)-2-heptylaminomethyl-5-oxopyrrolidin-1-yl)ethylthio)-1,3-thiazole-4-carboxylic acid butyl ester
  参考文献：
  名称：

  8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1481976B1

文献信息

• 8-Azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient
  申请人：Tani Kousuke

  公开号：US20050124577A1

  公开（公告）日：2005-06-09

  An 8-azaprostaglandin represented by formula (I) (wherein all symbols have the same meanings as described in the specification), a pharmaceutically acceptable salt thereof or a cyclodextrin clathrate thereof. Since the compound represented by formula (I) binds to EP2 subtype among PGE receptor strongly, it is useful for preventive and/or treatment for immune diseases, allergic diseases, neuronal cell death, dysmenorrhea, premature birth, abortion, baldness, retinal neuropathy such as glaucoma, erectile dysfunction, arthritis, pulmonary injury, pulmonary fibrosis, pulmonary emphysema, bronchitis, chronic obstructive pulmonary disease, hepatic injury, acute hepatitis, liver cirrhosis, shock, nephritis, renal failure, circulatory diseases, systemic inflammatory response syndrome, sepsis, hemophagocytosis syndrome, macrophage activation syndrome, still disease, Kawasaki Disease, burn, systemic granuloma, ulcerative colitis, Crohn disease, hypercytokinemia at dialysis, multiple organ failure, or bone diseases etc.

  一种由式(I)所表示的8-氮杂前列腺素，其中所有符号的含义与说明书中描述的相同，其药学上可接受的盐或环糊精包合物。由于式(I)所表示的化合物强烈结合到PGE受体中的EP2亚型，因此它对于预防和/或治疗免疫性疾病、过敏性疾病、神经元细胞死亡、痛经、早产、流产、脱发、青光眼等视网膜神经病变、勃起功能障碍、关节炎、肺损伤、肺纤维化、肺气肿、支气管炎、慢性阻塞性肺疾病、肝损伤、急性肝炎、肝硬化、休克、肾炎、肾功能衰竭、循环系统疾病、全身性炎症反应综合征、脓毒症、吞噬细胞过多综合征、巨噬细胞激活综合征、斯蒂尔病、川崎病、烧伤、全身性肉芽肿、溃疡性结肠炎、克隆氏病、透析时的高细胞因子血症、多器官衰竭或骨疾病等方面具有用途。
• 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT
  申请人：TANI Kousuke

  公开号：US20090042885A1

  公开（公告）日：2009-02-12

  An 8-azaprostaglandin represented by formula (I) (wherein all symbols have the same meanings as described in the specification), a pharmaceutically acceptable salt thereof or a cyclodextrin clathrate thereof. Since the compound represented by formula (I) binds to EP2 subtype among PGE receptor strongly, it is useful for preventive and/or treatment for immune diseases, allergic diseases, neuronal cell death, dysmenorrhea, premature birth, abortion, baldness, retinal neuropathy such as glaucoma, erectile dysfunction, arthritis, pulmonary injury, pulmonary fibrosis, pulmonary emphysema, bronchitis, chronic obstructive pulmonary disease, hepatic injury, acute hepatitis, liver cirrhosis, shock, nephritis, renal failure, circulatory diseases, systemic inflammatory response syndrome, sepsis, hemophagocytosis syndrome, macrophage activation syndrome, still disease, Kawasaki Disease, burn, systemic granuloma, ulcerative colitis, Crohn disease, hypercytokinemia at dialysis, multiple organ failure, or bone diseases etc.

  式（I）所表示的8-氮代前列腺素化合物（其中所有符号的含义与说明书中描述的相同），其药学上可接受的盐或环糊精包合物。由于式（I）所表示的化合物强烈结合到PGE受体中的EP2亚型，因此它对预防和/或治疗免疫性疾病、过敏性疾病、神经元细胞死亡、痛经、早产、流产、脱发、青光眼等视网膜神经病变、勃起功能障碍、关节炎、肺损伤、肺纤维化、肺气肿、支气管炎、慢性阻塞性肺疾病、肝损伤、急性肝炎、肝硬化、休克、肾炎、肾衰竭、循环系统疾病、全身炎症反应综合征、败血症、吞噬细胞综合征、巨噬细胞活化综合征、斯蒂尔病、川崎病、烧伤、全身性肉芽肿、溃疡性结肠炎、克罗恩病、透析时的高细胞因子血症、多器官功能障碍或骨疾病等方面具有用处。
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