(4S)-4-[(2S)-3-carboxy-2-acetamidopropanamido]-4-{[(1S)-1-[(1-carboxy-3-oxopropan-2-yl)carbamoyl]-2-methylpropyl]carbamoyl}butanoic acid | 184179-08-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (4S)-4-[(2S)-3-carboxy-2-acetamidopropanamido]-4-{[(1S)-1-[(1-carboxy-3-oxopropan-2-yl)carbamoyl]-2-methylpropyl]carbamoyl}butanoic acid
• 英文别名: N-(N-Acetyl-aspartyl-glutamyl-valinyl)-3-amino-3-formylpropionic acid；Ac-Asp-Glu-Val-DL-Asp-al；(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[(1-carboxy-3-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
• CAS: 184179-08-6
• 化学式: C₂₀H₃₀N₄O₁₁
• 分子量: 502.478
• InChiKey: UMBVAPCONCILTL-QCDIVLGDSA-N

物化性质

• 沸点：
  1021.1±65.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)
• 溶解度：
  H2O：1 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  245
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  n-allyloxycarbonyl-4-amino-5-benzyloxy-2-oxotetrahydrofuran 、 水 在 Pd(OH)2 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 (4S)-4-[(2S)-3-carboxy-2-acetamidopropanamido]-4-{[(1S)-1-[(1-carboxy-3-oxopropan-2-yl)carbamoyl]-2-methylpropyl]carbamoyl}butanoic acid
  参考文献：
  名称：

  Peptidyl derivatives as inhibitors of pro-apoptotic cysteine proteinases

  摘要：

  具有公式I: R.sup.1 COAA.sup.1 AA.sup.2 AA.sup.3 NHY的化合物是抑制凋亡过程中涉及的酶apopain的抑制剂。这些化合物可用作研究工具，也可用于治疗任何减少凋亡对其有益的疾病，包括免疫缺陷综合症（包括艾滋病），I型糖尿病，病原性感染，心血管和神经系统损伤，脱发，衰老，帕金森病和阿尔茨海默病。

  公开号：

  US05798442A1

文献信息

• Composition and method for clusterin-mediated stem cell therapy for treatment of atherosclerosis and heart failure
  申请人：Geng Yong-Jian

  公开号：US20060099194A1

  公开（公告）日：2006-05-11

  Methods and compositions are disclosed for inhibiting, deterring or preventing apoptosis of cardiac myocytes, transplanted stem cells, vascular stem cells, and vascular smooth muscle cells by means of expressing or synthesizing clusterin. Also disclosed are methods and compositions for producing recombinant clusterin, or its biologically active peptides, and for induction of clusterin-associated lipoproteins or enzymes for deterring or preventing inflammatory injury and apoptosis induced by oxLDL, oxysterols, cytokines, and Fas Ligand. Also disclosed is an induction method and composition for enhancing expression of ALDH and ALDH-associated enzymes or co-factors to prevent cytotoxicity or detoxification. Therapeutic methods providing new expression or overexpression of clusterin in vascular or cardiac tissue are expected to inhibit the formation of atherosclerotic lesions, stabilize existing atherosclerotic plaques, and repair failing or damaged cardiac tissue.

  公开了通过表达或合成集束素来抑制、阻止或防止心肌细胞、移植干细胞、血管干细胞和血管平滑肌细胞凋亡的方法和组合物。还公开了生产重组集束素或其生物活性肽的方法和组合物，以及诱导集束素相关脂蛋白或酶的方法和组合物，用于阻止或预防由氧化LDL、氧杂醇、细胞因子和 Fas 配体诱导的炎症损伤和细胞凋亡。还公开了一种诱导方法和组合物，用于提高 ALDH 和 ALDH 相关酶或辅助因子的表达，以防止细胞毒性或解毒。在血管或心脏组织中提供集束素新表达或过表达的治疗方法有望抑制动脉粥样硬化病变的形成，稳定现有的动脉粥样硬化斑块，修复衰竭或受损的心脏组织。
• APOPAIN
  申请人：MERCK & CO., INC.

  公开号：EP0822983A1

  公开（公告）日：1998-02-11
• EP0822983A4
  申请人：——

  公开号：EP0822983A4

  公开（公告）日：2004-12-15
• COMPOSITION AND METHOD FOR CLUSTERIN-MEDIATED STEM CELL THERAPY FOR TREATMENT OF ATHEROSCLEROSIS AND HEART FAILURE
  申请人：GENG Yong-Jian

  公开号：US20090210956A1

  公开（公告）日：2009-08-20

  Methods and compositions are disclosed for inhibiting, deterring or preventing apoptosis of cardiac myocytes, transplanted stem cells, vascular stem cells, and vascular smooth muscle cells by means of expressing or synthesizing clusterin. Also disclosed are methods and compositions for producing recombinant clusterin, or its biologically active peptides, and for induction of clusterin-associated lipoproteins or enzymes for deterring or preventing inflammatory injury and apoptosis induced by oxLDL, oxysterols, cytokines, and Fas Ligand. Also disclosed is an induction method and composition for enhancing expression of ALDH and ALDH-associated enzymes or co-factors to prevent cytotoxicity or detoxification. Therapeutic methods providing new expression or overexpression of clusterin in vascular or cardiac tissue are expected to inhibit the formation of atherosclerotic lesions, stabilize existing atherosclerotic plaques, and repair failing or damaged cardiac tissue.
• US5798442A
  申请人：——

  公开号：US5798442A

  公开（公告）日：1998-08-25