2-CBZ-1,2,3,4-四氢异喹啉-7-羧酸 | 877861-35-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 中文名称: 2-CBZ-1,2,3,4-四氢异喹啉-7-羧酸
• 英文名称: 2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
• 英文别名: 2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
• CAS: 877861-35-3
• 化学式: C₁₈H₁₇NO₄
• 分子量: 311.337
• InChiKey: LSBNDRUEEMBVHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933499090

反应信息

• 作为产物：
  描述：

  2-benzyl 7-methyl 3,4-dihydroisoquinoline-2,7(1H)-dicarboxylate 在 水 、 lithium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以96%的产率得到2-CBZ-1,2,3,4-四氢异喹啉-7-羧酸
  参考文献：
  名称：

  [EN] APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE KINASE 1 DE RÉGULATION DU SIGNAL APOPTOTIQUE, ET LEURS MÉTHODES D'UTILISATION

  摘要：

  本发明公开了化合物的结构式（I），以及其药学上可接受的盐和酯：这些化合物抑制凋亡信号调节激酶1（ASK-1），与自身免疫性疾病、神经退行性疾病、炎症性疾病、慢性肾脏疾病、心血管疾病相关。本发明还涉及包括上述化合物的药物组合物，用于治疗患有ASK-1相关疾病的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的ASK-1相关疾病的方法。本发明具体涉及治疗与肝脂肪变性相关的ASK-1的方法，包括非酒精性脂肪肝病（NAFLD）和非酒精性脂肪性肝炎病（NASH）。

  公开号：

  WO2018218051A1

文献信息

• Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds
  申请人：4SC AG

  公开号：EP2100879A1

  公开（公告）日：2009-09-16

  Compounds of a certain formula I wherein R1, R2, R3, X, Y, r, s, t, u and v have the meanings as defined in the specification, and the salts, solvates and hydrates thereof are novel effective HDAC 6 inhibitors.

  具有特定分子式I的化合物，其中R1、R2、R3、X、Y、r、s、t、u和v的含义如规范中所定义，以及它们的盐、溶剂合物和水合物是新颖有效的HDAC 6抑制剂。
• Compound Containing Basic Group and Use Thereof
  申请人：Kokubo Masaya

  公开号：US20080009495A1

  公开（公告）日：2008-01-10

  The present invention relates to a compound represented by formula (I-0): wherein symbols in formula have the same meanings as described in the present specification, a salt thereof, an N-oxide thereof or a solvate thereof or a prodrug thereof, and medical use thereof. The compound of the present invention has an antagonistic activity against CXCR4 and is therefore useful as a preventive and/or therapeutic agent for CXCR4-mediated diseases, for example, inflammatory and immune diseases (for example, rheumatoid arthritis, arthritis, retinopathy, pulmonary fibrosis, transplanted organ rejection, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiovascular disease, metabolic diseases, and cancerous diseases (for example, cancer, cancer metastasis, etc.), or an agent for regeneration therapy.

  本发明涉及一种由式（I-0）表示的化合物：其中，式中的符号与本说明书中所述的意义相同，其盐，N-氧化物或溶剂化物或其前药，以及其医学用途。本发明的化合物具有对CXCR4的拮抗活性，因此可用作预防和/或治疗CXCR4介导的疾病的药物，例如，炎症和免疫性疾病（例如，类风湿性关节炎，关节炎，视网膜病变，肺纤维化，移植器官排斥等），过敏性疾病，感染（例如，人类免疫缺陷病毒感染，获得性免疫缺陷综合症等），精神神经疾病，脑部疾病，心血管疾病，代谢性疾病和癌症性疾病（例如，癌症，癌症转移等），或作为再生疗法的药物。
• NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS
  申请人：Maier Thomas

  公开号：US20110201643A1

  公开（公告）日：2011-08-18

  Compounds of a certain formula (I) wherein R1, R2, R3, X, Y, r, s, t, u and v have the meanings as defined in the specification, and the salts, solvates and hydrates thereof are novel effective HDAC 6 inhibitors.

  化学式为(I)的化合物，其中R1，R2，R3，X，Y，r，s，t，u和v的含义如规范所定义，并且它们的盐、溶剂合物和水合物是新型有效的HDAC 6抑制剂。
• COMPOUND CONTAINING BASIC GROUP AND USE THEREOF
  申请人：KOKUBO Masaya

  公开号：US20110142856A1

  公开（公告）日：2011-06-16

  The present invention relates to a compound represented by formula (I-0): wherein symbols in formula have the same meanings as described in the present specification, a salt thereof, an N-oxide thereof or a solvate thereof or a prodrug thereof, and medical use thereof. The compound of the present invention has an antagonistic activity against CXCR4 and is therefore useful as a preventive and/or therapeutic agent for CXCR4-mediated diseases, for example, inflammatory and immune diseases (for example, rheumatoidarthritis, arthritis, retinopathy, pulmonary fibrosis, transplanted organ rejection, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiovascular disease, metabolic diseases, and cancerous diseases (for example, cancer, cancer metastasis, etc.), or an agent for regeneration therapy.

  本发明涉及一种由式（I-0）表示的化合物：其中式中的符号具有本说明书中所述的相同含义，其盐、N-氧化物或溶剂化物或前药，以及其医药用途。本发明的化合物具有对CXCR4的拮抗活性，因此可用作预防和/或治疗CXCR4介导的疾病的药物，例如，炎症和免疫性疾病（例如，类风湿性关节炎，关节炎，视网膜病变，肺纤维化，移植器官排斥等），过敏性疾病，感染（例如，人类免疫缺陷病毒感染，获得性免疫缺陷综合症等），精神神经疾病，脑部疾病，心血管疾病，代谢性疾病和癌症性疾病（例如，癌症，癌症转移等），或用于再生疗法的药物。
• Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US10450301B2

  公开（公告）日：2019-10-22

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts and esters thereof: which inhibit the Apoptosis signal-regulating kinase 1 (ASK-1), which associated with autoimmune disorders, neurodegenerative disorders, inflammatory diseases, chronic kidney disease, cardiovascular disease. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from ASK-1 related disease. The invention also relates to methods of treating an ASK-1 related disease in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The present invention specifically relates to methods of treating ASK-1 associated with hepatic steatosis, including non-alcoholic fatty liver disease (NAFLD) and non-alcohol steatohepatitis disease (NASH).

  本发明公开了式 (I) 化合物及其药学上可接受的盐和酯： 其抑制与自身免疫性疾病、神经退行性疾病、炎症性疾病、慢性肾病、心血管疾病相关的凋亡信号调节激酶1（ASK-1）。本发明进一步涉及包含上述化合物的药物组合物，用于给患有 ASK-1 相关疾病的患者用药。本发明还涉及通过施用包含本发明化合物的药物组合物治疗受试者 ASK-1 相关疾病的方法。本发明特别涉及治疗与肝脂肪变性相关的ASK-1的方法，包括非酒精性脂肪肝（NAFLD）和非酒精性脂肪性肝炎（NASH）。