4-{[N-.(5-benzyloxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(4-isopropylphenyl)amino]methyl}benzoic acid | 405098-61-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-{[N-.(5-benzyloxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(4-isopropylphenyl)amino]methyl}benzoic acid
• 英文别名: 4-{[N-(5-benzyloxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(4-isopropylphenyl)amino]methyl}benzoic acid；4-[(N-(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)-4-propan-2-ylanilino)methyl]benzoic acid
• CAS: 405098-61-5
• 化学式: C₃₅H₃₅NO₄
• 分子量: 533.667
• InChiKey: QRNLHKNIOBBKID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-{[N-.(5-benzyloxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(4-isopropylphenyl)amino]methyl}benzoic acid 生成 4-{[N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(4-isopropylphenyl)amino]methyl}benzoic acid dihydrate
  参考文献：
  名称：

  NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF

  摘要：

  公开号：

  EP1318140B9
• 作为产物：
  描述：

  sodium hydroxide 、 methyl 4-{[N-(5-benzyloxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(4-isopropylphenyl)amino]methyl}benzoate 、 盐酸 在 乙酸乙酯 、 Brine 、 magnesium sulfate 、 silica gel 作用下， 以 甲醇 为溶剂， 以to give 4-{[N-(5-benzyloxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(4-isopropylphenyl)amino]methyl}benzoic acid (2 g)的产率得到4-{[N-.(5-benzyloxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(4-isopropylphenyl)amino]methyl}benzoic acid
  参考文献：
  名称：

  Novel amide derivatives and medicinal use thereof

  摘要：

  本发明涉及一种式（1）的酰胺衍生物，具有C5a受体拮抗作用，其中每个符号如规范中所定义。上述酰胺衍生物及其光学活性形式和药学上可接受的盐被认为是治疗或预防由C5a引起的炎症所致疾病或综合症的药物，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，过敏性疾病，如哮喘等，动脉硬化，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），由缺血再灌注，创伤，烧伤，手术侵袭等引起的白细胞激活所致。此外，它们还可用作通过C5a受体侵入的细菌和病毒引起的传染病的治疗或预防剂。

  公开号：

  US20100041656A1

文献信息

• Novel amide derivatives and medicinal use thereof ugs
  申请人：——

  公开号：US20040138223A1

  公开（公告）日：2004-07-15

  The present invention relates to an amide derivative of the formula (1), having a C5a receptor antagonistic action 1 wherein each symbol is as defined in the specification. The above-mentioned amide derivative, an optically active form thereof and a pharmaceutically acceptable salt thereof are promising as an agent for the treatment or prophylaxis of diseases or syndromes caused by 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 and pancreatitis and the like) due to activation of leukocytes caused by ischemia reperfusion, trauma, burn, surgical invasion and the like]. Moreover, they are useful as a therapeutic or prophylactic agent for the infectious diseases caused by bacteria and virus that invade via a C5a receptor.

  本发明涉及一种式（1）的酰胺衍生物，具有C5a受体拮抗作用，其中每个符号如规范中所定义。上述酰胺衍生物及其光学活性形式和药学上可接受的盐被认为是治疗或预防因C5a引起的炎症引起的疾病或综合症的药物，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，心脏梗死，脑梗死，牛皮癣，老年痴呆症和严重器官损伤（如肺炎，肾炎，肝炎，胰腺炎等）由于缺血再灌注，创伤，烧伤，手术入侵等引起的白细胞激活。此外，它们对通过C5a受体侵入的细菌和病毒引起的传染病也有用作治疗或预防剂。
• Amide derivatives and medicinal use thereof
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US07855297B2

  公开（公告）日：2010-12-21

  The present invention relates to an amide derivative of the formula (1), having a C5a receptor antagonistic action wherein each symbol is as defined in the specification. The above-mentioned amide derivative, an optically active form thereof and a pharmaceutically acceptable salt thereof are promising as an agent for the treatment or prophylaxis of diseases or syndromes caused by 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 and pancreatitis and the like) due to activation of leukocytes caused by ischemia reperfusion, trauma, burn, surgical invasion and the like]. Moreover, they are useful as a therapeutic or prophylactic agent for the infectious diseases caused by bacteria and virus that invade via a C5a receptor.

  本发明涉及一种具有C5a受体拮抗作用的公式（1）的酰胺衍生物，其中每个符号如规范中所定义。上述酰胺衍生物及其光学活性形式和药学上可接受的盐作为治疗或预防由C5a引起的炎症引起的疾病或综合征的药物很有前途[例如，自身免疫疾病，如风湿病，系统性红斑狼疮等，败血症，成人呼吸窘迫综合症，慢性阻塞性肺疾病，过敏疾病，如哮喘等，动脉硬化，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，由缺血再灌注，创伤，烧伤，手术入侵等引起的白细胞激活引起的肺炎，肾炎，肝炎和胰腺炎等）]。此外，它们也可用作通过C5a受体侵入的细菌和病毒引起的传染病的治疗或预防药物。
• NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1318140A1

  公开（公告）日：2003-06-11

  The present invention relates to an amide derivative of the formula (1), having a C5a receptor antagonistic action wherein each symbol is as defined in the specification. The above-mentioned amide derivative, an optically active form thereof and a pharmaceutically acceptable salt thereof are promising as an agent for the treatment or prophylaxis of diseases or syndromes caused by 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 and pancreatitis and the like) due to activation of leukocytes caused by ischemia reperfusion, trauma, burn, surgical invasion and the like]. Moreover, they are useful as a therapeutic or prophylactic agent for the infectious diseases caused by bacteria and virus that invade via a C5a receptor.

  本发明涉及一种具有 C5a 受体拮抗作用的式 (1) 酰胺衍生物 其中各符号如说明书中所定义。 上述酰胺衍生物、其光学活性形式及其药学上可接受的盐有望用作治疗或预防由 C5a 引起的炎症所导致的疾病或综合征[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；慢性阻塞性肺病；过敏性疾病，如哮喘等；动脉粥样硬化；心肌梗塞；脑梗塞；银屑病；老年痴呆症；严重器官损伤（如：肺炎、肾炎、肝硬化等）、由于缺血再灌注、创伤、烧伤、手术侵袭等引起的白细胞活化而导致的严重器官损伤（如肺炎、肾炎、肝炎和胰腺炎等）]。此外，它们还是治疗或预防细菌和病毒通过 C5a 受体入侵引起的感染性疾病的有效药物。
• US7855297B2
  申请人：——

  公开号：US7855297B2

  公开（公告）日：2010-12-21
• US8198454B2
  申请人：——

  公开号：US8198454B2

  公开（公告）日：2012-06-12