(4-hydroxybutylamino)acetic acid tert-butyl ester | 289506-62-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4-hydroxybutylamino)acetic acid tert-butyl ester
• 英文别名: 4-tert-butoxycarbonylmethylamino-1-butanol；tert-butyl [(4-hydroxybutyl)amino]acetate；tert-butyl 2-(4-hydroxybutylamino)acetate
• CAS: 289506-62-3
• 化学式: C₁₀H₂₁NO₃
• 分子量: 203.282
• InChiKey: ZUKOPRWLOXSLFV-UHFFFAOYSA-N

物化性质

• 沸点：
  290.0±25.0 °C(Predicted)
• 密度：
  0.999±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-hydroxybutylamino)acetic acid tert-butyl ester 在 咪唑 、 四丁基氟化铵 、 溶剂黄146 、 三乙胺 、 mercury dichloride 作用下， 以 四氢呋喃 、 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成 N-4-mesyloxybutyl-N-[[[(phenylmethoxy)carbonyl]amino][[(phenylmethoxy)carbonyl]imino]methyl]glycine tert-butyl ester
  参考文献：
  名称：

  Synthesis of 1-(4-Aminobutyl)-2-iminoimidazolidin-4-one Aimed at Preparation of a Creatinine-Specific Antibody

  摘要：

  为了获得特异性针对肌酐的抗体，利用4-氨基丁基的肌酐衍生物作为连接子，以合成肌酐-牛血清白蛋白（BSA）结合物，该衍生物通过8步反应由4-苄氨基丁醇合成。使用肌酐-BSA结合物在两只兔子中观察到了抗肌酐抗体的产生，尽管其滴度相对较低。

  DOI：

  10.1248/cpb.c13-00960
• 作为产物：
  描述：

  溴乙酸叔丁酯 在 palladium 10% on activated carbon 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 29.0h， 生成 (4-hydroxybutylamino)acetic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis of 1-(4-Aminobutyl)-2-iminoimidazolidin-4-one Aimed at Preparation of a Creatinine-Specific Antibody

  摘要：

  为了获得特异性针对肌酐的抗体，利用4-氨基丁基的肌酐衍生物作为连接子，以合成肌酐-牛血清白蛋白（BSA）结合物，该衍生物通过8步反应由4-苄氨基丁醇合成。使用肌酐-BSA结合物在两只兔子中观察到了抗肌酐抗体的产生，尽管其滴度相对较低。

  DOI：

  10.1248/cpb.c13-00960

文献信息

• Amide compounds and use of the same
  申请人：Japan Tobacco Inc.

  公开号：US06174887B1

  公开（公告）日：2001-01-16

  An amide compound of the formula (I): wherein R is amino and the like, A is alkylene and the like, X is O, S and the like, M is arylene and the like, R1, R2, R3 and R4 are H, hydroxy and the like, R5 is H, alkyl and the like, m is an integer of 0-6, R6 is an optionally substituted aryl and the like, and R7 is H, an optionally substituted alkyl and the like, a pharmaceutically acceptable acid addition salt thereof and a pharmaceutical containing same as an active ingredient. The amide compounds exhibit superior suppressive effects on cytokines directly or indirectly involved in inflammations, such as IL-8, IL-1, IL-6, TNF-&agr;, GM-CSF and the like, and are useful for the prophylaxis and treatment of rheumatic diseases, arthritis due to gout and the like.

  化合物的结构式（I）如下： 其中R为氨基等，A为烷基等，X为O、S等，M为芳基等，R1、R2、R3和R4为H、羟基等，R5为H、烷基等，m为0-6的整数，R6为可选择取代的芳基等，R7为H、可选择取代的烷基等，其药学上可接受的酸盐和含有其作为活性成分的药物。这些酰胺化合物对直接或间接参与炎症的细胞因子，如IL-8、IL-1、IL-6、TNF-α、GM-CSF等，表现出优越的抑制作用，并可用于预防和治疗风湿病、痛风性关节炎等。
• Amide compounds and use thereof
  申请人：Japan Tobacco Inc.

  公开号：US06420561B1

  公开（公告）日：2002-07-16

  An amide compound of the formula (I): wherein R is amino and the like, A is alkylene and the like, X is O, S and the like, M is arylene and the like, R1, R2, R3 and R4 are H, hydroxy and the like, R5 is H, alkyl and the like, m is an integer of 0-6, R6 is an optionally substituted aryl and the like, and R7 is H, an optionally substituted alkyl and the like, a pharmaceutically acceptable acid addition salt thereof and a pharmaceutical containing same as an active ingredient. The amide compounds exhibit superior suppressive effects on cytokines directly or indirectly involved in inflammations, such as IL-8, IL-1, IL-6, TNF-&agr;, GM-CSF and the like, and are useful for the prophylaxis and treatment of rheumatic diseases, arthritis due to gout and the like.

  式(I)的酰胺化合物：其中R为氨基或类似物，A为亚烷基或类似物，X为O、S或类似物，M为芳烃基或类似物，R1、R2、R3和R4为H、羟基或类似物，R5为H、烷基或类似物，m为0-6的整数，R6为可选取代的芳基或类似物，R7为H、可选取代的烷基或类似物，其药学上可接受的酸盐和含有其作为活性成分的药物。这些酰胺化合物表现出优越的抑制作用，直接或间接地涉及炎症的细胞因子，如IL-8、IL-1、IL-6、TNF-α、GM-CSF等，可用于预防和治疗风湿性疾病、痛风性关节炎等。
• HIV INTEGRASE INHIBITORS
  申请人：Vacca Joseph P.

  公开号：US20090054399A1

  公开（公告）日：2009-02-26

  Tricyclic compounds of Formula (I) are inhibitors of HIV integrase and inhibitors of HIV replication: wherein bond a, ring A, R 1 , R 2 and R 3 are defined herein. The compounds are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  公式（I）的三环化合物是HIV整合酶的抑制剂和HIV复制的抑制剂：其中键a、环A、R1、R2和R3在此定义。该化合物可用于预防或治疗HIV感染以及预防、治疗或延迟艾滋病的发作。该化合物可作为化合物本身或以药学上可接受的盐的形式用于抗HIV感染和艾滋病的治疗。该化合物及其盐可作为药物组成部分使用，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• HIV integrase inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07741315B2

  公开（公告）日：2010-06-22

  Tricyclic compounds of Formula (I) are inhibitors of HIV integrase and inhibitors of HIV replication: wherein bond a, ring A, R1, R2 and R3 are defined herein. The compounds are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  公式（I）的三环化合物是HIV整合酶的抑制剂和HIV复制的抑制剂：其中键a，环A，R1，R2和R3的定义如下。这些化合物可用于预防或治疗HIV感染以及预防，治疗或延迟艾滋病的发作。这些化合物可作为化合物本身或药物可接受的盐的形式用于对抗HIV感染和艾滋病。这些化合物及其盐可作为药物组合中的成分，可选择与其他抗病毒药物，免疫调节剂，抗生素或疫苗组合使用。
• Carboxylic acid compound and use thereof
  申请人：Japan Tobacco Inc.

  公开号：EP1304322A2

  公开（公告）日：2003-04-23

  A carboxylic acid compound of the formula (I-a) wherein R is amino and the like, A is alkylene and the like, X is O, S and the like, M is arylene and the like, R1, R2, R3 and R4 are H, hydroxy and the like. The carboxylic acid compound of the formula (I-a) can be used for making an amide compound of the formula (I): wherein R, A, X, R1, R2, R3 and R4 are as described above and R5 is H, alkyl and the like, m is an integer of 0-6, R6 is an optionally substituted aryl and the like, and R7 is H, an optionally substituted alkyl and the like, a pharmaceutically acceptable acid addition salt thereof and a pharmaceutical containing same as an active ingredient. The amide compounds exhibit superior suppressive effects on cytokines directly or indirectly involved in inflammations, such as IL-8, IL-1, IL-6, TNF-α, GM-CSF and the like, and are useful for the prophylaxis and treatment of rheumatic diseases, arthritis due to gout and the like.

  式（I-a）的羧酸化合物 其中 R 是氨基等，A 是亚烷基等，X 是 O、S 等，M 是芳基等，R1、R2、R3 和 R4 是 H、羟基等。 式（I-a）的羧酸化合物可用于制造式（I）的酰胺化合物： 其中 R、A、X、R1、R2、R3 和 R4 如上所述，R5 为 H、烷基等，m 为 0-6 的整数，R6 为任选取代的芳基等，R7 为 H、任选取代的烷基等。这些酰胺化合物对直接或间接参与炎症的细胞因子，如 IL-8、IL-1、IL-6、TNF-α、GM-CSF 等具有卓越的抑制作用，可用于预防和治疗风湿性疾病、痛风引起的关节炎等。