cis-4-allylcarbamoyl-cyclohexanecarboxylic acid methyl ester | 100252-61-7

• 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: cis-4-allylcarbamoyl-cyclohexanecarboxylic acid methyl ester
• 英文别名: cis-4-allylcarbamoyl-cyclohexanecarboxylic acid methyl ester；cis-4-Allylcarbamoyl-cyclohexancarbonsaeure-methylester
• CAS: 100252-61-7
• 化学式: C₁₂H₁₉NO₃
• 分子量: 225.288
• InChiKey: ASVOFQOHYAYSKW-AOOOYVTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  cis-4-allylcarbamoyl-cyclohexanecarboxylic acid methyl ester 在 氢氧化钾 作用下， 生成 (+/-)-3-(cis-4-carboxy-cyclohexanecarbonylamino)-2-methoxy-propylmercury (1+); acetate
  参考文献：
  名称：

  Construction and expression of retroviruses encoding dual drug resistance genes in human umbilical cord blood CD34+ cells

  摘要：

  A series of retroviral vectors encoding human mdr1 gene alone as well as in combination with either human mgmt gene or human mutant Ser(31)-dhfr gene are engineered. The resultant retroviruses are used to transduce human umbilical cord blood CD34(+) cells. It has been shown that expression of dual drug resistance genes in transduced cells confers a broad range of resistance to both kinds of corresponding drugs. These data suggest a rationale for the use of such double chemoresistance gene constructs in an in vivo model in which transduced hematopoietic cells will acquire multiple protection against the cytotoxic side effects of combination chemotherapy and may have future application in chemoprotection of normal tissues, thus killing tumor cells more effectively.

  DOI：

  10.1007/bf02886244
• 作为产物：
  描述：

  (1s,4s)-Dimethyl cyclohexane-1,4-dicarboxylate 在 N-甲基吗啉 、 氢氧化钾 、 氯化亚砜 、 苯 作用下， 生成 cis-4-allylcarbamoyl-cyclohexanecarboxylic acid methyl ester
  参考文献：
  名称：

  Construction and expression of retroviruses encoding dual drug resistance genes in human umbilical cord blood CD34+ cells

  摘要：

  A series of retroviral vectors encoding human mdr1 gene alone as well as in combination with either human mgmt gene or human mutant Ser(31)-dhfr gene are engineered. The resultant retroviruses are used to transduce human umbilical cord blood CD34(+) cells. It has been shown that expression of dual drug resistance genes in transduced cells confers a broad range of resistance to both kinds of corresponding drugs. These data suggest a rationale for the use of such double chemoresistance gene constructs in an in vivo model in which transduced hematopoietic cells will acquire multiple protection against the cytotoxic side effects of combination chemotherapy and may have future application in chemoprotection of normal tissues, thus killing tumor cells more effectively.

  DOI：

  10.1007/bf02886244