N'-(2,6-diisopropylphenyl)-N-(4-ethylphenyl)-N-(4-morpholinophenylmethyl)urea | 400857-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N'-(2,6-diisopropylphenyl)-N-(4-ethylphenyl)-N-(4-morpholinophenylmethyl)urea
• 英文别名: 3-[2,6-di(propan-2-yl)phenyl]-1-(4-ethylphenyl)-1-[(4-morpholin-4-ylphenyl)methyl]urea
• CAS: 400857-80-9
• 化学式: C₃₂H₄₁N₃O₂
• 分子量: 499.696
• InChiKey: NOCZOTPGEPFESV-UHFFFAOYSA-N

物化性质

• 沸点：
  679.0±55.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (4-ethylphenyl)[(4-morpholinophenyl)methyl]amine 、 2,6-二异丙基苯异氰酸酯 以N′-(2,6-diisopropylphenyl)-N-(4-ethylphenyl)-N-(4-morpholinophenylmethyl)urea (0.45 g) was obtained的产率得到N'-(2,6-diisopropylphenyl)-N-(4-ethylphenyl)-N-(4-morpholinophenylmethyl)urea
  参考文献：
  名称：

  Novel 3-substituted urea derivatives and medicinal use thereof

  摘要：

  本发明涉及一种尿素衍生物，其化学式为（1）其中符号如说明书所述，其药学上可接受的盐及其药用。本发明化合物具有C5a受体拮抗作用，可用作预防或治疗由C5a引起的炎症所致的疾病或综合症的药剂，例如自身免疫性疾病，如风湿病、系统性红斑狼疮等，败血症、成人呼吸窘迫综合症、慢性阻塞性肺疾病、哮喘等过敏性疾病、动脉粥样硬化、心肌梗死、脑梗死、牛皮癣、阿尔茨海默病和严重器官损伤（例如肺炎、肾炎、肝炎、胰腺炎等）由于缺血、创伤、烧伤、手术入侵等引起的白细胞激活。此外，它还可用作预防或治疗由细菌或病毒通过C5a受体侵入引起的感染性疾病的药剂。

  公开号：

  US20030207939A1

文献信息

• Novel 3-substituted urea derivatives and medicinal use thereof
  申请人：——

  公开号：US20030207939A1

  公开（公告）日：2003-11-06

  The present invention relates to a urea derivative of the formula (1) 1 wherein each symbol is as described in the specification, a pharmaceutically acceptable salt thereof and pharmaceutical use thereof. The compound of the present invention has a C5a receptor antagonistic action and is useful as an agent for the prophylaxis or treatment of diseases or syndromes due to inflammation caused by C5a [e.g., autoimmune diseases such as rheumatism, systemic lupus erythematosus and the like, sepsis, adult respiratory distress syndrome, chronic obstructive pulmonary disease, allergic diseases such as asthma and the like, atherosclerosis, cardiac infarction, brain infarction, psoriasis, Alzheimer's disease and serious organ injury (e.g., pneumonia, nephritis, hepatitis, pancreatitis and the like) due to activation of leukocytes caused by ischemia, trauma, burn, surgical invasion and the like]. In addition, it is useful as an agent for the prophylaxis or treatment of infectious diseases caused by bacteria or virus that invades via a C5a receptor.

  本发明涉及一种化学式(1)1的尿素衍生物，其中每个符号如规范中所述，以及其药用可接受盐和药用。本发明的化合物具有C5a受体拮抗作用，可用作预防或治疗由C5a引起的炎症所致疾病或综合症的药剂[例如，自身免疫疾病如风湿病、系统性红斑狼疮等、败血症、成人呼吸窘迫综合征、慢性阻塞性肺疾病、哮喘等过敏性疾病、动脉粥样硬化、心肌梗死、脑梗死、牛皮癣、阿尔茨海默病和严重器官损伤(例如，由缺血、创伤、烧伤、手术侵袭等引起的白细胞活化引起的肺炎、肾炎、肝炎、胰腺炎等)。此外，它还可用作预防或治疗由细菌或病毒通过C5a受体侵入引起的传染病的药剂。
• 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1308438B9

  公开（公告）日：2012-03-28
• US7105567B2
  申请人：——

  公开号：US7105567B2

  公开（公告）日：2006-09-12
• 3-substituted urea derivatives and medicinal use thereof
  申请人：Mitsubishi Pharma Corporation

  公开号：US07105567B2

  公开（公告）日：2006-09-12

  The present invention relates to a urea derivative of the formula (1) wherein each symbol is as described in the specification, a pharmaceutically acceptable salt thereof and pharmaceutical use thereof. The compound of the present invention has a C5a receptor antagonistic action and is useful as an agent for the prophylaxis or treatment of diseases or syndromes due to inflammation caused by C5a [e.g., autoimmune diseases such as rheumatism, systemic lupus erythematosus and the like, sepsis, adult respiratory distress syndrome, chronic obstructive pulmonary disease, allergic diseases such as asthma and the like, atherosclerosis, cardiac infarction, brain infarction, psoriasis, Alzheimer's disease and serious organ injury (e.g., pneumonia, nephritis, hepatitis, pancreatitis and the like) due to activation of leukocytes caused by ischemia, trauma, burn, surgical invasion and the like]. In addition, it is useful as an agent for the prophylaxis or treatment of infectious diseases caused by bacteria or virus that invades via a C5a receptor.

  本发明涉及一种尿素衍生物(1)的公式，其中每个符号如规范所述，其药学上可接受的盐及其药用。本发明的化合物具有C5a受体拮抗作用，可用作预防或治疗由C5a引起的炎症所致的疾病或综合征的药剂[例如，自身免疫性疾病，如风湿病，系统性红斑狼疮等，败血症，成人呼吸窘迫综合征，慢性阻塞性肺疾病，过敏性疾病，如哮喘等，动脉粥样硬化，心脏梗塞，脑梗塞，牛皮癣，阿尔茨海默病和严重器官损伤(例如肺炎，肾炎，肝炎，胰腺炎等)，由缺血，创伤，烧伤，手术侵入等引起的白细胞激活所致]。此外，它还可用作预防或治疗由通过C5a受体侵入的细菌或病毒引起的感染性疾病的药剂。