10-<(phenylmethoxy)carbonylamino>decanoic acid | 195302-79-5

• 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: 10-<(phenylmethoxy)carbonylamino>decanoic acid
• 英文别名: 10-(((benzyloxy)carbonyl)amino)decanoic acid；10-Benzyloxycarbonylamino-decansaeure；10-(N-carbobenzoxy)-aminodecanoic acid；10-(Cbz-amino)decanoic acid；10-(phenylmethoxycarbonylamino)decanoic acid
• CAS: 195302-79-5
• 化学式: C₁₈H₂₇NO₄
• 分子量: 321.417
• InChiKey: SPZYWRAMTIKTLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  10-<(phenylmethoxy)carbonylamino>decanoic acid 在 palladium on activated charcoal 氢气 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 4.5h， 生成 10-amino-N-<4-<(1,1-dimethylethoxycarbonyl)-<3-<(1,1-dimethylethoxycarbonyl)amino>propyl>amino>butyl>decanamide
  参考文献：
  名称：

  Structure−Immunosuppressive Activity Relationships of New Analogues of 15-Deoxyspergualin. 1. Structural Modifications of the Hydroxyglycine Moiety

  摘要：

  A series of new analogues of 15-deoxyspergualin (DSG), an immunosuppressive agent currently commercialized in Japan, was synthesized and tested in a graft-versus-host disease (GVHD) model in mice. Using the general concept of bioisosteric replacement, variations of the hydroxyglycine central "C" region were made in order to determine its optimum structure in terms of in vivo immunosuppressive activity. By this way, the malonic derivative 13a was discovered as the first example of a new series of potent immunosuppressive agents encompassing a retro-amide bond linked to the hexyl-guanidino moiety. Structure-activity relationships of this series were studied by synthesizing compounds 13g-i and 13k-s. Variation of the "right-amide" of 13a led to the urea 19a and the carbamates 23 and 27a which proved to be equally active as DSG in our GVHD model. Finally 27a was found to be the most potent derivative, being slightly more active than DSG in a heart allotransplantation model in rats. Due to the absence of chiral center in its structure and to its improved chemical stability compared to DSG, 27a was selected as a candidate for clinical evaluation.

  DOI：

  10.1021/jm980431g
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 、 氯甲酸苄酯 作用下， 生成 10-<(phenylmethoxy)carbonylamino>decanoic acid
  参考文献：
  名称：

  Martin Panizo, Anales de la Real Sociedad Espanola de Fisica y Quimica, 1950, vol. 46, p. 727,732

  摘要：

  DOI：

文献信息

• DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE
  申请人：Yamada Christina

  公开号：US20080085869A1

  公开（公告）日：2008-04-10

  Provided herein are duplex oligonucleotide complexes which can be administered to a cell, tissue or organism to silence a target gene without the aid of a transfection reagent(s). The duplex oligonucleotide complexes of the disclosure include a conjugate moiety that facilitates delivery to a cell, tissue or organism.

  本文提供了一种双链寡核苷酸复合物，可以被输送到细胞、组织或生物体中，以沉默目标基因，而无需转染试剂的帮助。本公开的双链寡核苷酸复合物包括一个共轭基团，有助于将其输送到细胞、组织或生物体中。
• COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION
  申请人：KEIO UNIVERSITY

  公开号：US20200207798A1

  公开（公告）日：2020-07-02

  The invention provides a 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 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 R 1 in the formula (1) excluding a substitutent and the number of carbon atoms in the divalent hydrocarbon group in X 1 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.

  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。
• Macrocyclic peptides useful in the treatment of thrombin related
  申请人：Ortho Pharmaceutical Corporation, Inc.

  公开号：US05888971A1

  公开（公告）日：1999-03-30

  Compounds of Formula I ##STR1## and Formula III ##STR2## which are useful in the treatment of thrombin and trypsin related disorders.

  化合物的公式I ##STR1## 和公式III ##STR2## 在治疗与凝血酶和胰蛋白酶相关的疾病中很有用。
• TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE
  申请人：Yamada Christina

  公开号：US20100093085A1

  公开（公告）日：2010-04-15

  Provided herein are tripartite oligonucleotide complexes which can be administered to a cell, tissue or organism to silence a target gene. The tripartite oligonucleotide complexes of the disclosure may include a conjugate moiety that facilitates delivery to a cell, tissue or organism without the aid of a transfection reagent

  本文提供了三分体寡核苷酸复合物，可用于静默目标基因的细胞、组织或生物的治疗。本文所述的三分体寡核苷酸复合物可能包括一个共轭基团，以便在不需要转染试剂的情况下促进其递送到细胞、组织或生物中。
• Duplex Oligonucleotide Complexes and Methods for Gene Silencing by RNA Interference
  申请人：Yamada Christina

  公开号：US20120322855A1

  公开（公告）日：2012-12-20

  Provided herein are duplex oligonucleotide complexes which can be administered to a cell, tissue or organism to silence a target gene without the aid of a transfection reagent(s). The duplex oligonucleotide complexes of the disclosure include a conjugate moiety that facilitates delivery to a cell, tissue or organism.

  本文提供了一种双链寡核苷酸复合物，可以在不使用转染试剂的情况下被输送到细胞、组织或生物体中，以沉默目标基因。本文所述的双链寡核苷酸复合物包括一个共轭基团，可以促进其输送到细胞、组织或生物体中。