2,2-Dimercapto-aethen-1,1-dicarbonsaeure-aethylester-nitril | 18771-18-1

• 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: 2,2-Dimercapto-aethen-1,1-dicarbonsaeure-aethylester-nitril
• 英文别名: 2,3-Dimercapto-maleinsaeure-nitril-ethylester；ethyl 2-cyano-3,3-bis(sulfanyl)prop-2-enoate
• CAS: 18771-18-1
• 化学式: C₆H₇NO₂S₂
• 分子量: 189.259
• InChiKey: KTUBFTKISQJMKP-UHFFFAOYSA-N

物化性质

• 沸点：
  276.1±40.0 °C(Predicted)
• 密度：
  1.298±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2-Dimercapto-aethen-1,1-dicarbonsaeure-aethylester-nitril 在 三氟乙酸 作用下， 以 乙醇 为溶剂， 生成 (5-Amino-[1,3,4]thiadiazol-2-yl)-imidazolidin-2-ylidene-acetic acid ethyl ester
  参考文献：
  名称：

  Tetraazaacenaphthene, tetraazaphenalene and 1,3,4-thiadiazole derivatives as potential leishmanicides

  摘要：

  Synthesis and leishmanicidal activity of 1,3-dithiolanes (2a,b), 1,3-dithiane (2c), tetraazaacenaphthene (4a-h) and tetraazaphenalene imidazolidin-2-ylidene (5a,6a,b) and hexahydropyrimidin-2-ylidene (5b) derivatives are described. Some of the screened compounds have demonstrated significant leishmanicidal activity in in vitro and in vivo evaluations. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00086-3
• 作为产物：
  描述：

  二硫化碳 、 氰乙酸乙酯 在 sodium ethanolate 作用下， 以 二甲基亚砜 为溶剂， 生成 2,2-Dimercapto-aethen-1,1-dicarbonsaeure-aethylester-nitril
  参考文献：
  名称：

  Tetraazaacenaphthene, tetraazaphenalene and 1,3,4-thiadiazole derivatives as potential leishmanicides

  摘要：

  Synthesis and leishmanicidal activity of 1,3-dithiolanes (2a,b), 1,3-dithiane (2c), tetraazaacenaphthene (4a-h) and tetraazaphenalene imidazolidin-2-ylidene (5a,6a,b) and hexahydropyrimidin-2-ylidene (5b) derivatives are described. Some of the screened compounds have demonstrated significant leishmanicidal activity in in vitro and in vivo evaluations. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00086-3

文献信息

• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES
  申请人：Arvinas, Inc.

  公开号：US20190151295A1

  公开（公告）日：2019-05-23

  The present disclosure relates to bifunctional compounds, which find utility as modulators of Interleukin-1 Receptor-Associated Kinase 4 (IRAK-4); the target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hppel-Lindau, cereblon, ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为白细胞介素-1受体相关激酶4（IRAK-4；目标蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端结合E3泛素连接酶的Von Hppel-Lindau、cereblon配体的双功能化合物，另一端结合目标蛋白的部分，使得目标蛋白靠近泛素连接酶以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白的降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由目标蛋白聚集或积累导致的疾病或紊乱。
• [EN] RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS INHIBITEURS DE RAF KINASES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2011025951A1

  公开（公告）日：2011-03-03

  Compounds of Formula (I) are useful for inhibition of Raf kinases. Methods of using compounds of Formula (I) and stereoisomers, tautomers and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  式(I)的化合物对于抑制Raf激酶很有用。本文揭示了利用式(I)的化合物及其立体异构体、互变异构体和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗这类疾病，或相关病理条件的方法。
• [EN] PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS<br/>[FR] INHIBITEURS DE RAF DE PYRAZOLE[3,4-B]PYRIDINE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2009111279A1

  公开（公告）日：2009-09-11

  Compounds of Formula I are useful for inhibition of Raf kinases. Methods of using compounds of Formula I and stereoisomers, tautomers, prodrugs and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  公式I的化合物对于抑制Raf激酶很有用。本文揭示了利用公式I的化合物及其立体异构体、互变异构体、前药和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• [EN] SUBSTITUTED AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES (IRAK-4)<br/>[FR] INHIBITEURS AMIDOPYRAZOLE SUBSTITUÉS DE KINASES ASSOCIÉES AUX RÉCEPTEURS DE L'INTERLEUKINE (IRAK -4)
  申请人：MERCK SHARP & DOHME

  公开号：WO2015006181A1

  公开（公告）日：2015-01-15

  This invention relates to amidopyrazole compounds that are inhibitors of Interieukin receptor-associated kinases, in particular IRAK-4, and are useful in the treatment of cellular proliferative diseases. Speifically (5-methylpyridin-2-yl)-1 H-pyrazol-5-yl]pyrazolo[1,5- a]pyrimidine-3-carboxamide derivatives are disclosed for use in the method of treating inflammatory disorders such as rheumatoid arthritis, inflammatory bowel disease and cancer.

  这项发明涉及抑制Interieukin受体相关激酶，特别是IRAK-4的amidopyrazole化合物，并且在治疗细胞增殖性疾病方面具有用处。具体来说，揭示了用于治疗炎症性疾病如类风湿性关节炎、炎症性肠病和癌症的[(5-甲基吡啶-2-基)-1 H-吡唑-5-基]吡唑并[1,5-a]吡嘧啶-3-羧酰胺衍生物的方法。
• RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Gradl Stefan

  公开号：US20120157451A1

  公开（公告）日：2012-06-21

  Compounds of Formula (I) are useful for inhibition of Raf kinases. Methods of using compounds of Formula (I) and stereoisomers, tautomers and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  化学式(I)的化合物对于抑制Raf激酶非常有用。本文介绍了使用化学式(I)的化合物、立体异构体、互变异构体和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理条件的方法。