(S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid | 162852-62-2

• 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: (S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid
• 英文别名: (2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]butanedioic acid
• CAS: 162852-62-2
• 化学式: C₂₀H₂₇N₃O₈
• 分子量: 437.4
• InChiKey: ZEQLKYSQIAZNOS-NOLJZWGESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  171
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• [EN] DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS<br/>[FR] CONCEPTION, SYNTHÈSE ET ÉVALUATION DE COMPOSÉS ACTIVATEURS DE PROCASPASE EN TANT QUE MÉDICAMENTS ANTICANCÉREUX PERSONNALISÉS
  申请人：UNIV ILLINOIS

  公开号：WO2010091382A1

  公开（公告）日：2010-08-12

  Compositions and methods are disclosed in embodiments relating to induction of cell death such as in cancer cells. Compounds and related methods for synthesis and use thereof, including the use of compounds in therapy for the treatment of cancer and selective induction of apoptosis in cells are disclosed. Compounds are disclosed that have lower neurotoxicity effects than other compounds.

  本发明公开了涉及诱导细胞死亡（例如癌细胞）的组合物和方法。公开了用于合成和使用这些化合物的相关方法，包括在癌症治疗中使用化合物以及在细胞中选择性诱导凋亡。公开了具有比其他化合物更低神经毒性效应的化合物。
• Quinoline-(C=O)-(multiple amino acids)-leaving group compounds for pharmaceutical compositions and reagents
  申请人：——

  公开号：US20020052323A1

  公开（公告）日：2002-05-02

  This invention concerns compounds and a pharmaceutical composition of the structure: wherein: 1 R 1 is selected from the group consisting of alkyl, substituted alkyl, aryl, and substituted aryl which group will produce a natural amino acid structure or an unnatural amino acid structure, and the carbon adjacent to R 1 is in the D or L configuration; R 2 is selected from the group consisting of —F and 2 wherein R 3 and R 4 are each selected from the group consisting of hydrogen, alkyl, fluoro, chloro, carboxyl, alkoxy, alkyl carbonyl, aryl carbonyl, and amino; R 5 and R 5′ are each independently selected from the group consisting of hydrogen, alkyl, alkoxy, fluoro, chloro, carboxy, alkoxy, alkyl carbonyl, aryl carbonyl, and amino, R 6 is selected from the group consisting of alkyl having 1 to 10 carbon atoms, aryl or substituted aryl, and m is 1, 2 or 3. These compounds are reagents and pharmaceutical compositions have pro-drug and apoptosis properties and are useful in a variety of therapies, for diseases such as arthritis, ALS, MS, and the like.

  这项发明涉及具有以下结构的化合物和药物组合物：其中：1R1选择自由基团，包括烷基，取代烷基，芳基和取代芳基，该自由基团将产生天然氨基酸结构或非天然氨基酸结构，并且邻接于R1的碳处于D或L构型；R2选择自由基团，包括—F和2其中R3和R4各自选择自由基团，包括氢，烷基，氟，氯，羧基，烷氧基，烷基羰基，芳基羰基和氨基；R5和R5'各自独立选择自由基团，包括氢，烷基，烷氧基，氟，氯，羧基，烷氧基，烷基羰基，芳基羰基和氨基，R6选择自由基团，包括具有1到10个碳原子的烷基，芳基或取代芳基，m为1、2或3。这些化合物是试剂和药物组合物具有前药和凋亡性能，并且在各种疗法中非常有用，用于治疗关节炎、肌萎缩侧索硬化症、多发性硬化等疾病。
• DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS
  申请人：Hergenrother Paul J.

  公开号：US20120040995A1

  公开（公告）日：2012-02-16

  Compositions and methods are disclosed in embodiments relating to induction of cell death such as in cancer cells. Compounds and related methods for synthesis and use thereof, including the use of compounds in therapy for the treatment of cancer and selective induction of apoptosis in cells are disclosed. Compounds are disclosed that have lower neurotoxicity effects than other compounds.

  本实施例揭示了与诱导细胞死亡有关的组合物和方法，例如在癌细胞中。揭示了合成和使用相关化合物的方法，包括在治疗癌症和选择性诱导细胞凋亡方面使用化合物的方法。揭示了具有比其他化合物更低神经毒性影响的化合物。
• PROCASPASE ACTIVATING COMPOUNDS
  申请人：The Board of Trustees of the University of Illinois

  公开号：US20150344452A1

  公开（公告）日：2015-12-03

  Compositions and methods are disclosed in embodiments relating to induction of cell death such as in cancer cells. Compounds and related methods for synthesis and use thereof, including the use of compounds in therapy for the treatment of cancer and selective induction of apoptosis in cells are disclosed. Compounds are disclosed that have lower neurotoxicity effects than other compounds.

  本实施例揭示了与细胞死亡诱导有关的组合物和方法，例如在癌细胞中。揭示了合成和使用相关化合物的方法，包括在治疗癌症和选择性诱导细胞凋亡方面使用化合物的方法。揭示了具有较低神经毒性效应的化合物。
• Selective apoptotic induction in cancer cells including activation of procaspase-3
  申请人：The Board of Trustees of the University of Illinois

  公开号：EP2634581A1

  公开（公告）日：2013-09-04

  Compounds and related methods for synthesis, and the use of compounds in therapy for the treatment of cancer and selective induction of apoptosis in cells are disclosed. Compounds are disclosed in connection with modification of procaspases such as procaspase-3, and particular embodiments are capable of direct activation of procaspase-3 and procaspase-7 to the effector forms of caspase-3 and caspase-7. Procaspase-3 levels can vary among cancer cell types; several types have relatively high levels and can have increased susceptibility to chemotherapy by compounds and methods herein. Therapeutic applications are relevant for a variety of cancer conditions and cell types, e.g. breast, lung, brain, colon, renal, adrenal, melanoma, and others.

  公开了化合物和相关的合成方法，以及化合物在治疗癌症和选择性诱导细胞凋亡疗法中的用途。所公开的化合物涉及对原蛋白酶（如原蛋白酶-3）的修饰，特定的实施方案能够将原蛋白酶-3和原蛋白酶-7直接激活为caspase-3和caspase-7的效应形式。Procaspase-3 的水平可因癌细胞类型而异；有几种癌细胞类型的 Procaspase-3 水平相对较高，可增加对本文所述化合物和方法化疗的敏感性。治疗应用适用于多种癌症病症和细胞类型，如乳腺癌、肺癌、脑癌、结肠癌、肾癌、肾上腺癌、黑色素瘤等。