1-(tert-Butoxycarbonylamino-methyl)-cyclopentanecarboxylic acid (S)-1-carboxy-3-methyl-butyl ester | 204514-27-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-(tert-Butoxycarbonylamino-methyl)-cyclopentanecarboxylic acid (S)-1-carboxy-3-methyl-butyl ester
• 英文别名: (2S)-4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid
• CAS: 204514-27-2
• 化学式: C₁₈H₃₁NO₆
• 分子量: 357.447
• InChiKey: BZINRQYSALIZTB-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(tert-Butoxycarbonylamino-methyl)-cyclopentanecarboxylic acid (S)-1-carboxy-3-methyl-butyl ester 在 2-羟基吡啶 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 (E)-(8S,11S,17R)-17-(3-Chloro-4-methoxy-benzyl)-8-isobutyl-11-((E)-(R)-1-methyl-3-phenyl-allyl)-7,10-dioxa-16,19-diaza-spiro[4.15]icos-13-ene-6,9,15,18-tetraone
  参考文献：
  名称：

  Synthesis and biological evaluation of cryptophycin analogs with substitution at C-6 (fragment C region)

  摘要：

  Analogs of the antitumor agents cryptophycins 1 and 8 with dialkyl substitution at C-6 (fragment C) were synthesized and evaluated for in vitro cytotoxicity against human leukemia cells (CCRF-CEM). The activity of these analogs decreased as the size of the substituents at C-6 increased. The C-6 spirocylopropyl compound (2g) was highly potent in vitro and showed excellent antitumor activity in animal models. (C) 1999 Elsevier Science Ltd. ALI rights reserved.

  DOI：

  10.1016/s0960-894x(98)00748-3
• 作为产物：
  描述：

  1-(氨基甲基)环戊烷甲醇 在 吗啉 、 ruthenium trichloride 、 sodium hydroxide 、 sodium periodate 、 四(三苯基膦)钯 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 四氯化碳 、 乙腈 为溶剂， 生成 1-(tert-Butoxycarbonylamino-methyl)-cyclopentanecarboxylic acid (S)-1-carboxy-3-methyl-butyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of cryptophycin analogs with substitution at C-6 (fragment C region)

  摘要：

  Analogs of the antitumor agents cryptophycins 1 and 8 with dialkyl substitution at C-6 (fragment C) were synthesized and evaluated for in vitro cytotoxicity against human leukemia cells (CCRF-CEM). The activity of these analogs decreased as the size of the substituents at C-6 increased. The C-6 spirocylopropyl compound (2g) was highly potent in vitro and showed excellent antitumor activity in animal models. (C) 1999 Elsevier Science Ltd. ALI rights reserved.

  DOI：

  10.1016/s0960-894x(98)00748-3