N,N'-二甲酰基-L-胱氨酸 | 29581-98-4

• 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
• 中文名称: N,N'-二甲酰基-L-胱氨酸
• 英文名称: N,N'-di-formyl cystine
• 英文别名: N,N'-Diformyl-cystin；N,N'-Diformyl-L-cystine；3-[(2-carboxy-2-formamidoethyl)disulfanyl]-2-formamidopropanoic acid
• CAS: 29581-98-4
• 化学式: C₈H₁₂N₂O₆S₂
• 分子量: 296.325
• InChiKey: AHYQLWRZIWXMJA-UHFFFAOYSA-N

物化性质

• 沸点：
  733.4±60.0 °C(Predicted)
• 密度：
  1.553±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  183
• 氢给体数：
  4
• 氢受体数：
  8

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  N,N'-二甲酰基-L-胱氨酸 、 9Α-氟-21-碘-16Α-甲基孕甾-1,4-二烯-11Β,17Α-二醇-3,20-二酮 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以30%的产率得到diformyl cystine di-21-yl-<9α-fluoro-11β,17α-dihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione>-diester
  参考文献：
  名称：

  Synthesis of new local anti-inflammatory thiosteroids based on antedrug concept

  摘要：

  The synthesis and the in vitro pharmacological evaluation of a number of topical corticosteroid derivatives designed on the basis of the antedrug concept are reported. Three series of compounds were synthesized in which sulfur-containing amino acids were incorporated to the steroidal structure in the 21 position. Compounds of series I are diesters of cystine with the 21-hydroxyl groups of the corticosteroids, while series II and III contain 21-amino and 21-thio corticosteroid derivatives, respectively. The new compounds were less potent than the parent corticosteroids in vitro. The 21-yl-[9-alpha-fluoro-11-beta,17-alpha-dihydroxy-16-alpha-methyl-1,4-pregnadiene-3,20-dione]-S-acetylamino cysteine 13 was the most interesting compound of the series and is now under further evaluation.

  DOI：

  10.1016/0223-5234(91)90137-c
• 作为产物：
  描述：

  L-胱氨酸 、 甲酸 生成 N,N'-二甲酰基-L-胱氨酸
  参考文献：
  名称：

  MILIONI, CATHERINE;EFTHYIMIOPOULOS, CONSTANTIN;KOCH, ETABLI BERNARD;JUNG,+

  摘要：

  DOI：

文献信息

• MILIONI, CATHERINE;EFTHYIMIOPOULOS, CONSTANTIN;KOCH, ETABLI BERNARD;JUNG,+
  作者：MILIONI, CATHERINE、EFTHYIMIOPOULOS, CONSTANTIN、KOCH, ETABLI BERNARD、JUNG,+

  DOI：——

  日期：——
• Synthesis of new local anti-inflammatory thiosteroids based on antedrug concept
  作者：C Milioni、L Jung、B Koch

  DOI：10.1016/0223-5234(91)90137-c

  日期：1991.12

  The synthesis and the in vitro pharmacological evaluation of a number of topical corticosteroid derivatives designed on the basis of the antedrug concept are reported. Three series of compounds were synthesized in which sulfur-containing amino acids were incorporated to the steroidal structure in the 21 position. Compounds of series I are diesters of cystine with the 21-hydroxyl groups of the corticosteroids, while series II and III contain 21-amino and 21-thio corticosteroid derivatives, respectively. The new compounds were less potent than the parent corticosteroids in vitro. The 21-yl-[9-alpha-fluoro-11-beta,17-alpha-dihydroxy-16-alpha-methyl-1,4-pregnadiene-3,20-dione]-S-acetylamino cysteine 13 was the most interesting compound of the series and is now under further evaluation.