N²-[2R-isobutyl-3S-(9-fluorenylmethoxycarbonylamino)-4-tert-butyloxysuccinyl]-L-tert-leucine-N¹-methylamide | 204126-53-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: N²-[2R-isobutyl-3S-(9-fluorenylmethoxycarbonylamino)-4-tert-butyloxysuccinyl]-L-tert-leucine-N¹-methylamide
• 英文别名: tert-butyl (2S,3R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoate
• CAS: 204126-53-4
• 化学式: C₃₄H₄₇N₃O₆
• 分子量: 593.764
• InChiKey: WVHYFXAVDCOXGO-FPNNDXFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  43.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  122.83
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N²-[2R-isobutyl-3S-(9-fluorenylmethoxycarbonylamino)-4-tert-butyloxysuccinyl]-L-tert-leucine-N¹-methylamide 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Solid-phase synthesis of hydroxamic acid based TNF-α convertase inhibitors

  摘要：

  An acid-sensitive linker for the solid phase synthesis of hydroxamic acids is described. Hydroxamic acid based TNF alpha inhibitors have been prepared by solid phase synthesis: derivatisation of N-2-[4-(N-oxyamino)-2R-isobutyl-3S-aminosuccinyl]-L-tert-leucine-N-1-methylamide grafted on Sasrin((R)) resin and subsequent acidic cleavage afforded hydroxamic acids in good yields and with good purity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00347-6
• 作为产物：
  描述：

  L-叔亮氨酸甲酰胺 、 3(R/S)-(9-fluorenylmethoxycarbonylamino)-2R-isobutylbutan-1,4-dioic acid 4-tert-butyl ester 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以4.0 g的产率得到N²-[2R-isobutyl-3S-(9-fluorenylmethoxycarbonylamino)-4-tert-butyloxysuccinyl]-L-tert-leucine-N¹-methylamide
  参考文献：
  名称：

  Solid-phase synthesis of hydroxamic acid based TNF-α convertase inhibitors

  摘要：

  An acid-sensitive linker for the solid phase synthesis of hydroxamic acids is described. Hydroxamic acid based TNF alpha inhibitors have been prepared by solid phase synthesis: derivatisation of N-2-[4-(N-oxyamino)-2R-isobutyl-3S-aminosuccinyl]-L-tert-leucine-N-1-methylamide grafted on Sasrin((R)) resin and subsequent acidic cleavage afforded hydroxamic acids in good yields and with good purity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00347-6