(E)-2-[(1-tert-Butoxycarbonylamino-2-cyclohexyl-ethyl)-methoxy-phosphinoylmethyl]-3-cyclohexyl-acrylic acid methyl ester | 129486-09-5

• 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: (E)-2-[(1-tert-Butoxycarbonylamino-2-cyclohexyl-ethyl)-methoxy-phosphinoylmethyl]-3-cyclohexyl-acrylic acid methyl ester
• CAS: 129486-09-5
• 化学式: C₂₅H₄₄NO₆P
• 分子量: 485.601
• InChiKey: SXGFLGKXIVZLLK-PGMHBOJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.41
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  90.93
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (E)-2-[(1-tert-Butoxycarbonylamino-2-cyclohexyl-ethyl)-methoxy-phosphinoylmethyl]-3-cyclohexyl-acrylic acid methyl ester 在 palladium on activated charcoal 氢气 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 19.0h， 生成 3-[(1-Amino-2-cyclohexyl-ethyl)-hydroxy-phosphinoyl]-2-cyclohexylmethyl-propionic acid
  参考文献：
  名称：

  Design, synthesis and evaluation of new RDP inhibitors

  摘要：

  Aminophosphinic acid derivatives were synthesized as potential inhibitors of renal dipeptidase, an enzyme over-expressed in benign and malignant colon tumors. Several compounds showed potent enzyme-inhibitory activity. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00082-0
• 作为产物：
  描述：

  2-(二甲氧基亚膦酰)-2-丙烯酸甲酯 、 环己烷基甲醛 、 (1-tert-butoxycarbonylamino-2-cyclohexyl-ethyl)phosphinic acid methyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 1.67h， 生成 (Z)-2-[(1-tert-Butoxycarbonylamino-2-cyclohexyl-ethyl)-methoxy-phosphinoylmethyl]-3-cyclohexyl-acrylic acid methyl ester 、 (E)-2-[(1-tert-Butoxycarbonylamino-2-cyclohexyl-ethyl)-methoxy-phosphinoylmethyl]-3-cyclohexyl-acrylic acid methyl ester
  参考文献：
  名称：

  Design, synthesis and evaluation of new RDP inhibitors

  摘要：

  Aminophosphinic acid derivatives were synthesized as potential inhibitors of renal dipeptidase, an enzyme over-expressed in benign and malignant colon tumors. Several compounds showed potent enzyme-inhibitory activity. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00082-0

文献信息

• Design and synthesis of renal dipeptidase inhibitors
  申请人：The Johns Hopkins University

  公开号：US20040091422A1

  公开（公告）日：2004-05-13

  Aminophosphinic acid derivatives were synthesized as potential inhibitors of renal dipeptidase, an enzyme overexpressed in benign and malignant colon tumors. Several compounds showed potent enzyme-inhibitory activity. These compounds can be used therapeutically and diagnostically for treatment and detection of tumors.

  氨基膦酸衍生物被合成为肾脏二肽酶的潜在抑制剂，该酶在良性和恶性结肠肿瘤中过度表达。几种化合物显示出强大的酶抑制活性。这些化合物可用于治疗和检测肿瘤的治疗和诊断。