(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-2-yl)methanamine | 744202-33-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-2-yl)methanamine
• 英文别名: (1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)methanamine；[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanamine
• CAS: 744202-33-3
• 化学式: C₁₀H₂₁N₃OSi
• 分子量: 227.382
• InChiKey: OVTWUGFYJZOHLF-UHFFFAOYSA-N

物化性质

• 沸点：
  325.1±32.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  53.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-2-yl)methanamine 在 正丁基锂 、 仲丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl N-[N'-[[5-chlorosulfonyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
  参考文献：
  名称：

  A novel synthetic approach towards 2-guanidinomethyl-4(5)-sulfamoylimidazoles

  摘要：

  A library of 2-guanidinomethyl-4(5)-sulfamoylimidazoles was synthesised in a convergent manner by introducing sulfonyl chloride group via a trianion electrophilic sulfinylation of suitably protected 2-guanidinomethyl imidazoles. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.143
• 作为产物：
  描述：

  2-((1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-2-yl)methyl)isoindoline-1,3-dione 在 肼 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以51%的产率得到(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-2-yl)methanamine
  参考文献：
  名称：

  WO2007/582

  摘要：

  公开号：

文献信息

• 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。
• Compound containing basic group and use thereof
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：US07951816B2

  公开（公告）日：2011-05-31

  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 disease (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描述的含义相同，其盐、N-氧化物或其溶剂合物或其前药，以及其医疗用途。本发明的化合物具有对CXCR4的拮抗活性，因此可用作CXCR4介导疾病的预防和/或治疗剂，例如炎症和免疫疾病（例如类风湿性关节炎、关节炎、视网膜病、肺纤维化、移植器官排斥等）、过敏性疾病、感染病（例如人类免疫缺陷病毒感染、获得性免疫缺陷综合征等）、精神神经疾病、脑部疾病、心血管疾病、代谢性疾病和癌症等，或作为再生治疗剂。
• Chemokine receptor antagonists and use thereof
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：US08168783B2

  公开（公告）日：2012-05-01

  A compound represented by general formula (I): a salt thereof, a solvate thereof, or a prodrug thereof wherein all symbols are as defined in the specification 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, systemic erythematosus, retinopathy, macular degeneration, pulmonary fibrosis, transplanted organ rejection, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiac/vascular disease (for example, arteriosclerosis, myocardial infarction, stenocardia, cerebral infarction, chronic arterial occlusive disease, etc.), metabolic diseases, and cancerous diseases (for example, cancer, cancer metastasis, etc.), a preventive and/or therapeutic agent for cancerous diseases or infections, or an agent for regeneration therapy.

  化合物的一般式表示为（I）的化合物：其盐，其溶剂化合物或其前药，其中所有符号如规范所定义，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，系统性红斑狼疮，视网膜病变，黄斑变性，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），心理神经疾病，脑部疾病，心脏/血管疾病（例如动脉硬化，心肌梗塞，心绞痛，脑梗塞，慢性动脉闭塞性疾病等），代谢性疾病和癌症性疾病（例如癌症，癌症转移等），用作预防和/或治疗癌症性疾病或感染的药物，或用作再生治疗剂。
• CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF
  申请人：Kokubo Masaya

  公开号：US20120207765A1

  公开（公告）日：2012-08-16

  A compound represented by general formula (I): a salt thereof, a solvate thereof, or a prodrug thereof wherein all symbols are as defined in the specification 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, systemic erythematosus, retinopathy, macular degeneration, pulmonary fibrosis, transplanted organ rejection, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiac/vascular disease (for example, arteriosclerosis, myocardial infarction, stenocardia, cerebral infarction, chronic arterial occlusive disease, etc.), metabolic diseases, and cancerous diseases (for example, cancer, cancer metastasis, etc.), a preventive and/or therapeutic agent for cancerous diseases or infections, or an agent for regeneration therapy.

  通式（I）所代表的化合物：其盐、溶剂化物或前药物，其中所有符号均如规范中所定义，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，例如炎症和免疫性疾病（例如类风湿性关节炎、关节炎、系统性红斑狼疮、视网膜病变、黄斑变性、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）、心理神经疾病、脑部疾病、心脏/血管疾病（例如动脉硬化、心肌梗死、心绞痛、脑梗死、慢性动脉闭塞性疾病等）、代谢性疾病和癌症性疾病（例如癌症、癌症转移等），是用于癌症性疾病或感染的预防和/或治疗剂，或再生疗法的剂。
• 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。