D-2-amino-3-((2-aminoethyl)disulfanyl)-propanoic acid | 791595-51-2

• 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: D-2-amino-3-((2-aminoethyl)disulfanyl)-propanoic acid
• 英文别名: (2S)-2-amino-3-(2-aminoethyldisulfanyl)propanoic acid
• CAS: 791595-51-2
• 化学式: C₅H₁₂N₂O₂S₂
• 分子量: 196.294
• InChiKey: WYQFVGPQTGCDJH-SCSAIBSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.6
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  140
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  D-2-amino-3-((2-aminoethyl)disulfanyl)-propanoic acid 、 NAlpha-(5-氟-2,4-二硝基苯基)-L-亮氨酰胺 生成
  参考文献：
  名称：

  Thiazoline Peptides and a Tris-Phenethyl Urea from Didemnum molle with Anti-HIV Activity

  摘要：

  As part of our screening for anti-HIV agents from marine invertebrates, the MeOH extract of Didemnum molle was tested and showed moderate in vitro anti-HIV activity. Bioassay-guided fractionation of a large-scale extract allowed the identification of two new cyclopeptides, mollamides E and F (1 and 2), and one new tris-phenethyl urea, molleurea A (3). The absolute configurations were established using the advanced Marfey's method. The three compounds were evaluated for anti-HIV activity in both an HIV integrase inhibition assay and a cytoprotective cell-based assay Compound 2 was active in both assays with IC50 values of 39 and 78 mu M, respectively. Compound 3 was active only in the cytoprotective cell-based assay, with an IC50 value of 60 mu M.

  DOI：

  10.1021/np300270p
• 作为产物：
  描述：

  胱胺 、 mollamide F 在 盐酸 、 水 作用下， 反应 17.83h， 生成 D-2-amino-3-((2-aminoethyl)disulfanyl)-propanoic acid
  参考文献：
  名称：

  Thiazoline Peptides and a Tris-Phenethyl Urea from Didemnum molle with Anti-HIV Activity

  摘要：

  As part of our screening for anti-HIV agents from marine invertebrates, the MeOH extract of Didemnum molle was tested and showed moderate in vitro anti-HIV activity. Bioassay-guided fractionation of a large-scale extract allowed the identification of two new cyclopeptides, mollamides E and F (1 and 2), and one new tris-phenethyl urea, molleurea A (3). The absolute configurations were established using the advanced Marfey's method. The three compounds were evaluated for anti-HIV activity in both an HIV integrase inhibition assay and a cytoprotective cell-based assay Compound 2 was active in both assays with IC50 values of 39 and 78 mu M, respectively. Compound 3 was active only in the cytoprotective cell-based assay, with an IC50 value of 60 mu M.

  DOI：

  10.1021/np300270p

文献信息

• Thiazoline Peptides and a Tris-Phenethyl Urea from <i>Didemnum molle</i> with Anti-HIV Activity
  作者：Zhenyu Lu、Mary Kay Harper、Christopher D. Pond、Louis R. Barrows、Chris M. Ireland、Ryan M. Van Wagoner

  DOI：10.1021/np300270p

  日期：2012.8.24

  As part of our screening for anti-HIV agents from marine invertebrates, the MeOH extract of Didemnum molle was tested and showed moderate in vitro anti-HIV activity. Bioassay-guided fractionation of a large-scale extract allowed the identification of two new cyclopeptides, mollamides E and F (1 and 2), and one new tris-phenethyl urea, molleurea A (3). The absolute configurations were established using the advanced Marfey's method. The three compounds were evaluated for anti-HIV activity in both an HIV integrase inhibition assay and a cytoprotective cell-based assay Compound 2 was active in both assays with IC50 values of 39 and 78 mu M, respectively. Compound 3 was active only in the cytoprotective cell-based assay, with an IC50 value of 60 mu M.