methyl 2-chloro-5-[3-(4-(5-phenylpentylthio)phenyl)propanoylamino]benzoate | 475596-82-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2-chloro-5-[3-(4-(5-phenylpentylthio)phenyl)propanoylamino]benzoate
• 英文别名: Methyl 2-chloro-5-[3-[4-(5-phenylpentylsulfanyl)phenyl]propanoylamino]benzoate
• CAS: 475596-82-8
• 化学式: C₂₈H₃₀ClNO₃S
• 分子量: 496.07
• InChiKey: NUPGEBXQMFUORA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Carboxylic acid derivatives and drugs containing the same as the active ingredient
  申请人：——

  公开号：US20040224941A1

  公开（公告）日：2004-11-11

  Compounds represented by formula (I), prodrugs thereof and salts thereof, and pharmaceutical compositions comprising the same as an active ingredient (wherein each symbol has the meaning as defined in the specification.). 1 Because of having an EDG-1 agonism, the compounds represented by formula (I) are useful in preventing and/or treating peripheral arterial disease such as arteriosclerosis obliterans, thromboangiitis obliterans, Buerger's disease or diabetic neuropathy, sepsis, angiitis, nephritis, pneumonia, stroke, myocardial infarction, edematous state, atherosclerosis, varicosity such as hemorrhoid, anal fissure or fistula ani, dissecting aneurysm of the aorta, angina, DIC, pleuritis, congestive heart failure, multiple organ failure, bedsore, burn, chronic ulcerative colitis, Crohn's disease, heart transplantation, renal transplantation, dermal graft, liver transplantation, osteoporosis, pulmonary fibrosis, interstitial pneumonia, chronic hepatitis, liver cirrhosis, chronic renal failure, or glomerular sclerosis.

  化学式（I）所代表的化合物、其前药和盐，以及包含其作为活性成分的药物组合物（其中每个符号的含义如规范中所定义）。由于具有EDG-1激动作用，化学式（I）所代表的化合物在预防和/或治疗外周动脉疾病（如动脉硬化闭塞症、血栓闭塞性血管炎、布氏病或糖尿病神经病变）、败血症、血管炎、肾炎、肺炎、中风、心肌梗死、水肿状态、动脉硬化、静脉曲张（如痔疮、肛裂或肛门瘘）、主动脉夹层动脉瘤、心绞痛、DIC、胸膜炎、充血性心力衰竭、多器官衰竭、褥疮、烧伤、慢性溃疡性结肠炎、克罗恩病、心脏移植、肾脏移植、皮肤移植、肝脏移植、骨质疏松症、肺纤维化、间质性肺炎、慢性肝炎、肝硬化、慢性肾衰竭或肾小球硬化方面非常有用。
• Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient
  申请人：Seko Takuya

  公开号：US20070088027A1

  公开（公告）日：2007-04-19

  Compounds represented by formula (I), prodrugs thereof and salts thereof, and pharmaceutical compositions comprising the same as an active ingredient (wherein each symbol has the meaning as defined in the specification.). Because of having an EDG-1 agonism, the compounds represented by formula (I) are useful in preventing and/or treating peripheral arterial disease such as arteriosclerosis obliterans, thromboangiitis obliterans, Buerger's disease or diabetic neuropathy, sepsis, angiitis, nephritis, pneumonia, stroke, myocardial infarction, edematous state, atherosclerosis, varicosity such as hemorrhoid, anal fissure or fistula ani, dissecting aneurysm of the aorta, angina, DIC, pleuritis, congestive heart failure, multiple organ failure, bedsore, burn, chronic ulcerative colitis, Crohn's disease, heart transplantation, renal transplantation, dermal graft, liver transplantation, osteoporosis, pulmonary fibrosis, interstitial pneumonia, chronic hepatitis, liver cirrhosis, chronic renal failure, or glomerular sclerosis.

  化学式（I）所代表的化合物，其前体和盐，以及作为活性成分的药物组合物（其中每个符号的含义均如规范中定义）。 由于具有EDG-1激动作用，化学式（I）所代表的化合物在预防和/或治疗外周动脉疾病，如动脉硬化闭塞症、栓塞性血管炎、布尔格病或糖尿病神经病变、败血症、血管炎、肾炎、肺炎、中风、心肌梗死、水肿状态、动脉粥样硬化、痔核、肛裂或肛门瘘、主动脉夹层、心绞痛、DIC、胸膜炎、充血性心力衰竭、多器官衰竭、褥疮、烧伤、慢性溃疡性结肠炎、克罗恩病、心脏移植、肾移植、皮肤移植、肝移植、骨质疏松症、肺纤维化、间质性肺炎、慢性肝炎、肝硬化、慢性肾功能衰竭或肾小球硬化方面具有用途。
• CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1391199A1

  公开（公告）日：2004-02-25

  Compounds represented by formula (I), prodrugs thereof and salts thereof, and pharmaceutical compositions comprising the same as an active ingredient (wherein each symbol has the meaning as defined in the soecification.). Because of having an EDG-1 agonism, the compounds represented by formula (I) are useful in preventing and /or treating peripheral arterial disease such as arteriosclerosis obliterans, thromboangiitis obliterans, Buerger's disease or diabetic neuropathy, sepsis, angiitis, nephritis, pneumonia, stroke, myocardial infarction, edematous state, atherosclerosis, varicosity such as hemorrhoid, anal fissure or fistula ani, dissecting aneurysm of the aorta, angina, DIC, pleuritis, congestive heart failure, multiple organ failure, bedsore, burn, chronic ulcerative colitis, Crohn's disease, heart transplantation, renal transplantation, dermal graft, liver transplantation, osteoporosis, pulmonary fibrosis, interstitial pneumonia, chronic hepatitis, liver cirrhosis, chronic renal failure, or glomerular sclerosis.

  式(I)代表的化合物、其原药和盐，以及将其作为活性成分的药物组合物（其中各符号的含义如说明书中所定义）。 由于具有 EDG-1 激动作用，式（I）代表的化合物可用于预防和/或治疗外周动脉疾病，如动脉硬化闭塞症、血栓闭塞性脉管炎、Buerger 病或糖尿病神经病变、败血症、血管炎、肾炎、肺炎、中风、心肌梗塞、水肿状态、动脉粥样硬化、静脉曲张，如痔疮、肛裂或肛瘘、主动脉夹层动脉瘤、心绞痛、DIC、胸膜炎、充血性心力衰竭、多器官功能衰竭、褥疮、烧伤、慢性溃疡性结肠炎、克罗恩病、心脏移植、肾脏移植、皮肤移植、肝脏移植、骨质疏松症、肺纤维化、间质性肺炎、慢性肝炎、肝硬化、慢性肾功能衰竭或肾小球硬化症。
• US7179817B2
  申请人：——

  公开号：US7179817B2

  公开（公告）日：2007-02-20