Cys-Asp | 90427-86-4

• 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
• 英文名称: Cys-Asp
• 英文别名: L-Cysteinyl-L-aspartic acid；(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanedioic acid
• CAS: 90427-86-4
• 化学式: C₇H₁₂N₂O₅S
• 分子量: 236.249
• InChiKey: TULNGKSILXCZQT-IMJSIDKUSA-N

物化性质

• 沸点：
  495.6±45.0 °C(Predicted)
• 密度：
  1.497±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  131
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-氨基-2-苯并噻唑甲腈 、 Cys-Asp 以 二甲基亚砜 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  用于标记蛋白质末端半胱氨酸残基的生物相容性缩合反应

  摘要：

  上线：基于使用单个氨基酸标签（N 末端半胱氨酸残基）和含有氰基苯并噻唑 (CBT) 单元的小分子探针的蛋白质标记方法已用于体外蛋白质的特异性荧光标记以及活细胞表面（见示意图）。这种简单的连接反应在生理条件下以高度特异性进行。Rd：罗丹明染料；TEV：烟草蚀刻病毒。

  DOI：

  10.1002/anie.200903627

文献信息

• 2-Indolyl Imidazo [4,5-d] Phenanthroline Derivatives and Their Use in the Treatment for Cancer
  申请人：Huesca Mario

  公开号：US20100168417A1

  公开（公告）日：2010-07-01

  2-indolyl imidazo[4,5-d]phenanthroline compounds of Formula I that are capable of intracellular chelation of transition metals and of exerting antiproliferative effects in cancer cells, that are cytostatic and/or cytotoxic, are provided. Compounds of Formula I can also induce apoptosis in cancer cells and are thus capable of exerting a cytotoxic effect on cancer cells. The compounds of Formula I are also capable of selectively inhibiting the proliferation of one or more of prostate cancer cells, colon cancer cells, non-small lung cancer cells and leukemia cells. The compounds of Formula I are also capable of increasing the expression of the zinc-regulated tumour suppressor, KLF4 and thus are useful in inhibiting the proliferation of cancer cells in which KLF4 functions as a tumour-suppressor, including, but not limited to, bladder cancer, cancers of the gastrointestinal tract and various leukemias.

  提供了能够在细胞内与过渡金属螯合并对癌细胞产生抗增殖作用的Formula I的2-吲哚基咪唑并[4,5-d]菲啰啉化合物，这些化合物具有细胞静止和/或细胞毒作用。Formula I的化合物还可以诱导癌细胞凋亡，因此能够对癌细胞产生细胞毒作用。Formula I的化合物还能够选择性地抑制前列腺癌细胞、结肠癌细胞、非小细胞肺癌细胞和白血病细胞中的一个或多个的增殖。Formula I的化合物还能够增加锌调节的肿瘤抑制基因KLF4的表达，因此在抑制KLF4作为肿瘤抑制基因发挥作用的癌细胞的增殖方面具有用处，包括但不限于膀胱癌、胃肠道癌和各种白血病。
• [EN] CASPASE INHIBITOR<br/>[FR] INHIBITEUR DE CASPASES
  申请人：LG CHEMICAL LTD

  公开号：WO2001021600A1

  公开（公告）日：2001-03-29

  The present invention relates to an isoxazoline derivative of formula (I), the pharmaceutically acceptable salts, esters and stereochemically isomeric forms thereof, and the use of the derivative in inhibiting the activity of caspases. The present invention also relates to a pharmaceutical composition for preventing inflammation and apotosis which comprises the isoxazoline derivative, pharmaceutically acceptable salts, esters and stereochemically isomeric forms thereof and the process for preparing the same. The derivative according to the present invention can be effectively used in treating diseases due to caspases, such as, for example the disease in which cells are abnormally died, dementia, cerebral stroke, AIDS, diabetes, gastric ulcer, hepatic injure by hepatitis, sepsis, organ transplantation rejection reaction and anti-inflammation.

  本发明涉及一种式为（I）的异氧氮杂环衍生物，其药学上可接受的盐、酯和立体化学异构体形式，以及在抑制半胱氨酸蛋白酶活性方面使用该衍生物。本发明还涉及一种用于预防炎症和细胞凋亡的制药组合物，包括该异氧氮杂环衍生物、药学上可接受的盐、酯和立体化学异构体形式以及制备该组合物的方法。根据本发明的衍生物可以有效用于治疗由半胱氨酸蛋白酶引起的疾病，例如细胞异常死亡疾病、痴呆症、脑卒中、艾滋病、糖尿病、胃溃疡、肝炎损伤、败血症、器官移植排斥反应和抗炎症。
• NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF
  申请人：Hefei Institutes of Physical Sicence, Chinese Academy of Sciences

  公开号：EP3248979A1

  公开（公告）日：2017-11-29

  Provided in the present invention is a novel inhibitor of FLT3 kinase, comprising a compound of formula (I) or a pharmaceutically acceptable salt, solvate, isomer, ester, acid, metabolite or prodrug thereof. Also provided in the present invention are a pharmaceutical composition comprising a compound of formula (I) and a use and method for preventing or treating cell proliferative conditions and/or FLT3-related conditions, in particular for conditions responding to the inhibition of FLT3 kinase (especially FLT3/ITD mutant kinases).

  本发明提供了一种新型FLT3激酶抑制剂，包含式（I）化合物或其药学上可接受的盐、溶液剂、异构体、酯、酸、代谢物或原药。本发明还提供了一种包含式（I）化合物的药物组合物，以及一种用于预防或治疗细胞增殖性病症和/或 FLT3 相关病症，特别是对 FLT3 激酶（尤其是 FLT3/ITD 突变激酶）抑制有反应的病症的用途和方法。
• Inhibitor of FLT3 kinase and use thereof
  申请人：HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES

  公开号：US10266535B2

  公开（公告）日：2019-04-23

  Provided in the present invention is a novel inhibitor of FLT3 kinase, comprising a compound of formula (I) or a pharmaceutically acceptable salt, solvate, isomer, ester, acid, metabolite or prodrug thereof. Also provided in the present invention are a pharmaceutical composition comprising a compound of formula (I) and a use and method for preventing or treating cell proliferative conditions and/or FLT3-related conditions, in particular for conditions responding to the inhibition of FLT3 kinase (especially FLT3/ITD mutant kinases).

  本发明提供了一种新型FLT3激酶抑制剂，包含式（I）化合物或其药学上可接受的盐、溶液剂、异构体、酯、酸、代谢物或原药。本发明还提供了一种包含式（I）化合物的药物组合物，以及一种用于预防或治疗细胞增殖性病症和/或 FLT3 相关病症，特别是对 FLT3 激酶（尤其是 FLT3/ITD 突变激酶）抑制有反应的病症的用途和方法。
• CDK1 inhibitors of acetyl chrysin mannich base derivatives, synthesis and use thereof
  申请人：Zhang Fan

  公开号：US10471054B2

  公开（公告）日：2019-11-12

  Provided is a series of acetyl Chrysin Mannich base derivatives with the structures illustrated in the following scheme: wherein R1 is acetyl and R2 is cycloalkylamine-methyl, or R2 is acetyl and R1 is cycloalkylamine-methyl. Such derivatives are cyclin-dependent protein kinases 1 (CDK1) selective inhibitors. Base on the levels of .O2− and Fe++ are higher 5-15 times in cancer cells than in normal cells, the action mechanism of such derivatives by regulating intracellular reactive oxygen species (ROS) is activating mitochondria apoptosis pathway without the death receptor pathway, thus selectively inducing apoptosis of cancer cells and protecting normal cells. Inside, CH-j has a good druggability for the selectivity of solid cancers. Moreover, CH-f has also a good druggability for the systemic cancers.

  本研究提供了一系列乙酰基 Chrysin Mannich 碱衍生物，其结构如下图所示：其中 R1 是乙酰基，R2 是环烷基胺甲基，或 R2 是乙酰基，R1 是环烷基胺甲基。这类衍生物是细胞周期蛋白依赖性蛋白激酶 1（CDK1）选择性抑制剂。基于癌细胞中.O2-和Fe++的水平比正常细胞高5-15倍，此类衍生物通过调节细胞内活性氧（ROS）的作用机制是激活线粒体凋亡途径，而不是死亡受体途径，从而选择性地诱导癌细胞凋亡，保护正常细胞。其中，CH-j 对实体瘤的选择性具有良好的可药性。此外，CH-f 对全身性癌症也有良好的可药性。