9-(((benzyloxy)carbonyl)amino)nonanoic acid | 154163-39-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 9-(((benzyloxy)carbonyl)amino)nonanoic acid
• 英文别名: 9-(phenylmethoxycarbonylamino)nonanoic acid
• CAS: 154163-39-0
• 化学式: C₁₇H₂₅NO₄
• 分子量: 307.39
• InChiKey: XGXLFKLBUANDER-UHFFFAOYSA-N

物化性质

• 沸点：
  497.0±38.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-(((benzyloxy)carbonyl)amino)nonanoic acid 、 <3-<<(1,1-dimethylethoxy)carbonyl><4-<(2-amino-1-oxoethyl)amino>butyl>amino>propyl>carbamic acid, (1,1-dimethylethyl) ester 生成 tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[4-[[2-[9-(phenylmethoxycarbonylamino)nonanoylamino]acetyl]amino]butyl]carbamate
  参考文献：
  名称：

  JOSIDA, MASAO;TOMIESI, DZIRO;TAKEHI, SEHJFU;SAJTO, TEHTSUYUKI;NISIDZAVA, +

  摘要：

  DOI：
• 作为产物：
  描述：

  氨基壬酸 、 氯甲酸苄酯 在 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 25.0h， 以46%的产率得到9-(((benzyloxy)carbonyl)amino)nonanoic acid
  参考文献：
  名称：

  COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION

  摘要：

  该发明提供了一种能够激活自然杀伤T细胞的化合物或其盐，包含这种化合物或其盐的自然杀伤T细胞激活剂，以及一种药物组合物。该发明的化合物是由以下式（1）表示的化合物或其盐。最好的情况是，在式（1）中R1中的单价碳氢化合物基中的碳原子数（不包括取代基）和X1中的双价碳氢化合物基中的碳原子数总和为5至50。自然杀伤T细胞激活剂含有上述化合物或其盐。药物组合物含有上述化合物或其药理学上可接受的盐。

  公开号：

  US20200207798A1

文献信息

• Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition
  申请人：KEIO UNIVERSITY

  公开号：US10919926B2

  公开（公告）日：2021-02-16

  Problems of the present invention is to provide a novel compound or a salt thereof capable of activating natural killer T cell, a natural killer T cell activating agent containing such a compound or a salt thereof, and a pharmaceutical composition. The compound of the present invention is a compound represented by the following formula (1) or a salt thereof. It is preferable that total carbon number of the number of carbon atoms in the monovalent hydrocarbon group in R1 in the formula (1) excluding a sustitutent and the number of carbon atoms in the divalent hydrocarbon group in X1 is 5 to 50. The natural killer T cell activating agent contains the aforementioned compound or a salt thereof. The pharmaceutical composition contains the aforementioned compound or a pharmacologically acceptable salt thereof.

  本发明的问题是提供一种能够激活自然杀伤 T 细胞的新型化合物或其盐，一种含有这种化合物或其盐的自然杀伤 T 细胞激活剂，以及一种药物组合物。 本发明的化合物是由下式（1）代表的化合物或其盐。在式(1)中，除去助剂的R1中一价烃基的碳原子数和X1中二价烃基的碳原子数的总碳数最好为5至50。自然杀伤 T 细胞激活剂含有上述化合物或其盐。药物组合物含有上述化合物或其药理学上可接受的盐。
• T-butoxycarbonylaminoethylamine for the synthesis of PNA monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them
  申请人：Ikeda Hisafumi

  公开号：US20050187402A1

  公开（公告）日：2005-08-25

  A process for amino acid derivatives shown by the below general formula (I): (wherein R 1 means a hydrogen atom or a straight chain or branched chain alkyl group with 1-5 carbon atoms.) having an object to provide a process of the amino acid derivatives of the formula (I) and their synthetic intermediate, t-butoxycarbonylamino-ethylamine, whereby it requires no tedious procedure and is also good in yield, and its application to a mass production is easy, and to provide novel amino acid derivatives of the formula (IV), their synthetic intermediates, and a process thereof, characterized in that it comprises a step to obtain the amino acid derivatives shown by the general formula (I) by hydrolysis of compounds shown by the below formula (II): (wherein R 1 has the same meaning as described above, and R 2 means a straight chain or branched chain alkyl group with 1-4 carbon atoms.) as well as amino acid derivatives shown by the general formula (IV): (wherein R 1 means a hydrogen atom or a straight chain or branched chain alkyl group with 1-5 carbon atoms, and n means any one of integers 1-11.), and a process for the amino acid derivative, characterized in that it comprises a reduction step of benzyloxycarbonyl-ω-amino acid derivatives.

  一种以下通式(I)所示氨基酸衍生物的生产工艺： (其中 R 1 指氢原子或含有 1-5 个碳原子的直链或支链烷基。)，其目的是提供一种式(I)氨基酸衍生物及其合成中间体--叔丁氧羰基氨基-乙胺的工艺，该工艺不需要繁琐的程序，而且收率高，易于应用于大规模生产，并提供新型的式(IV)氨基酸衍生物、其合成中间体及其工艺，其特征在于该工艺包括通过水解下式(II)所示化合物获得通式(I)所示氨基酸衍生物的步骤： (其中 R 1 与上述含义相同，R 2 指 1-4 个碳原子的直链或支链烷基）以及通式（IV）所示的氨基酸衍生物： (其中 R 1 指氢原子或 1-5 个碳原子的直链或支链烷基，n 指 1-11 个整数中的任意一个），以及一种氨基酸衍生物的工艺，其特征在于它包括苄氧羰基-ω-氨基酸衍生物的还原步骤。
• T-BUTOXYCARBONYLAMINOETHYLAMINE FOR THE SYNTHESIS OF PNA MONOMER UNITS, AMINO ACID DERIVATIVES, INTERMEDIATES THEREOF, AND PROCESSES FOR PRODUCTIONS OF THEM
  申请人：Credia Japan Co., Ltd.

  公开号：EP1318142B1

  公开（公告）日：2007-04-11
• JOSIDA, MASAO;TOMIESI, DZIRO;TAKEHI, SEHJFU;SAJTO, TEHTSUYUKI;NISIDZAVA, +
  作者：JOSIDA, MASAO、TOMIESI, DZIRO、TAKEHI, SEHJFU、SAJTO, TEHTSUYUKI、NISIDZAVA, +

  DOI：——

  日期：——
• T-butoxycarbonylaminoethylamine for the Synthesis of PNA Monomer Units, Amino Acid Derivatives, Intermediates Thereof, and Processes for Productions of Them
  申请人：Ikeda Hisafumi

  公开号：US20080167491A1

  公开（公告）日：2008-07-10

  A process for amino acid derivatives shown by the below general formula (I): (wherein R 1 means a hydrogen atom or a straight chain or branched chain alkyl group with 1-5 carbon atoms.) having an object to provide a process of the amino acid derivatives of the formula (I) and their synthetic intermediate, t-butoxycarbonylamino-ethylamine, whereby it requires no tedious procedure and is also good in yield, and its application to a mass production is easy, and to provide novel amino acid derivatives of the formula (IV), their synthetic intermediates, and a process thereof, characterized in that it comprises a step to obtain the amino acid derivatives shown by the general formula (I) by hydrolysis of compounds shown by the below formula (II): (wherein R 1 has the same meaning as described above, and R 2 means a straight chain or branched chain alkyl group with 1-4 carbon atoms.) as well as amino acid derivatives shown by the general formula (IV): (wherein R 1 means a hydrogen atom or a straight chain or branched chain alkyl group with 1-5 carbon atoms, and n means any one of integers 1-11.), and a process for the amino acid derivative, characterized in that it comprises a reduction step of benzyloxycarbonyl-ω-amino acid derivatives.