Z-异亮氨酰-谷氨酰-苏氨酰-天冬氨酸-AFC | 219138-02-0

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 天冬氨酸类衍生物
• 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: Z-异亮氨酰-谷氨酰-苏氨酰-天冬氨酸-AFC
• 英文名称: Z-Ietd-afc
• 英文别名: (4S)-5-[[(2S,3R)-1-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid
• CAS: 219138-02-0
• 化学式: C₃₇H₄₂F₃N₅O₁₃
• 分子量: 821.7
• InChiKey: RCIFCAJYIPUCJW-QXPVPWKFSA-N

物化性质

• 溶解度：
  可溶于DMSO

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  58
• 可旋转键数：
  20
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  276
• 氢给体数：
  8
• 氢受体数：
  16

安全信息

• WGK Germany：
  3

文献信息

• Methods for preventing and treating cancer using N-thiolated beta-lactam compounds and analogs thereof
  申请人：——

  公开号：US20040167115A1

  公开（公告）日：2004-08-26

  The subject invention concerns N-thiolated &bgr;-lactam compounds, their analogs and pharmaceutically acceptable salts, esters and amides thereof. The subject invention also concerns methods for inducing tumor cell death or inhibiting tumor cell proliferation, and methods for inducing DNA damage, inhibiting DNA replication, activating p38 MAP kinase, or activating caspase cascade activation, or releasing cytochrome C from mitochondria into the cytoplasm in a tumor cell. Methods for treating cancer using N-thiolated &bgr;-lactam compounds, as well as pharmaceutical compositions comprising the same are further disclosed.

  本发明涉及N-硫代-β-内酰胺化合物及其类似物和药学上可接受的盐、酯和酰胺。本发明还涉及诱导肿瘤细胞死亡或抑制肿瘤细胞增殖的方法，诱导DNA损伤、抑制DNA复制、激活p38 MAP激酶或激活caspase级联激活，或将细胞色素C从线粒体释放到肿瘤细胞的细胞质中的方法。本发明还揭示了使用N-硫代-β-内酰胺化合物治疗癌症的方法，以及包含它们的制药组合物。
• US7026472B2
  申请人：——

  公开号：US7026472B2

  公开（公告）日：2006-04-11
• US7635693B2
  申请人：——

  公开号：US7635693B2

  公开（公告）日：2009-12-22
• [EN] METHODS FOR PREVENTING AND TREATING CANCER USING N-THIOLATED beta-LACTAM COMPOUNDS AND ANALOGS THEREOF<br/>[FR] PROCEDES POUR PREVENIR ET TRAITER LE CANCER AU MOYEN DE COMPOSES A BASE DE BETA-LACTAME N-THIOLE ET DE CERTAINS DE LEURS ANALOGUES
  申请人：UNIV SOUTH FLORIDA

  公开号：WO2004100888A2

  公开（公告）日：2004-11-25

  The subject invention concerns N-thiolated β-lactam compounds, their analogs and pharmaceutically acceptable salts, esters and amides thereof. The subject invention also concerns methods for inducing tumor cell death or inhibiting tumor cell proliferation, and methods for inducing DNA damage, inhibiting DNA replication, activating p38 MAP kinase, or activating caspase cascade activation, or releasing cytochrome C from mitochondria into the cytoplasm in a tumor cell. Methods for treating cancer using N-thiolated β-lactam compounds, as well as pharmaceutical compositions comprising the same are further disclosed.