(E)-2-cyano-3-(2-nitrophenyl)prop-2-enethioamide | 93440-30-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-2-cyano-3-(2-nitrophenyl)prop-2-enethioamide
• CAS: 93440-30-3
• 化学式: C₁₀H₇N₃O₂S
• 分子量: 233.25
• InChiKey: NEFUCWKDPIMXTJ-VMPITWQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-2-cyano-3-(2-nitrophenyl)prop-2-enethioamide 以 乙醇 为溶剂， 反应 48.05h， 生成 5-Acetyl-2-allylsulfanyl-6-methyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonitrile
  参考文献：
  名称：

  Rodinovskaya, L. A.; Shestopalov, A. M.; Litvinov, V. P., Doklady Chemistry, 1993, vol. 330, # 4-6, p. 146 - 150

  摘要：

  DOI：

文献信息

• [EN] TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT<br/>[FR] COMPOSÉS TRICYCLIQUES ET TÉTRACYCLIQUES DE PYRAZOLO[3,4-B]PYRIDINE EN TANT QU'AGENT ANTINÉOPLASIQUE
  申请人：PF MEDICAMENT

  公开号：WO2012140114A1

  公开（公告）日：2012-10-18

  The present invention relates to compounds of following general formula (I): and to the pharmaceutically acceptable salts of same, the tautomers of same, the stereoisomers or mixture of stereoisomers in any proportions of same, such as a mixture of enantiomers, notably a racemic mixture, as well as to methods for preparing same and uses of same, notably as an antineoplastic agent.

  本发明涉及以下一般式（I）的化合物，以及同一化合物的药用可接受盐，同分异构体，立体异构体或同分异构体的混合物，例如对映体混合物，尤其是消旋混合物，以及制备同一化合物的方法和用途，尤其是作为抗肿瘤剂。
• TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT
  申请人：Rabot Rémi

  公开号：US20140031362A1

  公开（公告）日：2014-01-30

  The present invention relates to compounds of following general formula (I): and to the pharmaceutically acceptable salts of same, the tautomers of same, the stereoisomers or mixture of stereoisomers in any proportions of same, such as a mixture of enantiomers, notably a racemic mixture, as well as to methods for preparing same and uses of same, notably as an antineoplastic agent.

  本发明涉及以下一般式（I）的化合物，以及其药学上可接受的盐，同分异构体，立体异构体或其混合物，如对映体混合物，特别是消旋混合物，以及制备同样的方法和用途，特别是作为抗肿瘤药物。
• Krivokolysko; Dyachenko; Nesterov, Russian Journal of Organic Chemistry, 1999, vol. 35, # 6, p. 942 - 948
  作者：Krivokolysko、Dyachenko、Nesterov、Sharanin、Struchkov

  DOI：——

  日期：——
• Condensed pyridines Communication 3. Arylidenethio(seleno)acetamides in the synthesis of 4-aryl-3-cyano-2[1H]pyridinethiones and 4-aryl-3-cyano-2[1H]pyridineselenones
  作者：V. P. Litvinov、V. K. Promonenkov、Yu. A. Sharanin、A. M. Shestopalov、L. A. Rodinovskaya、V. Yu. Mortikov、V. S. Bogdanov

  DOI：10.1007/bf00953940

  日期：1985.9
• Recyclization of morpholinium 3,4-trans-4-aryl-5-cyano-2-hydroxy-3-nitro-1,2,3,4-tetrahydropyridine-6-thiolates to 2-acylamino-5-amino-4-aryl-3-cyanothiophenes. Molecular and crystal structures of 5-amino-3-cyano-2-(4-methylbenzamido)-4-(2-thienyl)-thiophene
  作者：Ludmila A. Rodinovskaya、Anatoly M. Shestopalov、Konstantin S. Chunikhin

  DOI：10.1016/s0040-4020(02)00361-7

  日期：2002.5

  2-Acylamino-5-amino-4-aryl-3-cyanothiophenes were synthesized by the reaction of arylidenecyanothioacetamides with alpha-nitroketones or by the three-component reaction of aromatic aldehydes, alpha-nitroketones, and cyanothioacetamide, or the reaction of 3-(4-chlorophenyl)-2-nitro-1-phenyl-2-propen-1-one with cyanothioacetamide in the presence of morpholine. These diaminothiophenes are formed via the recyclization stage of the primarily formed tetrahydropyridines, morpholinium 3,4-trans-4-aryl-5-cyano-2-hydroxy-3-nitro-1,2,3,4-tetrahydropyridine-6-thiolates. (C) 2002 Elsevier Science Ltd. All rights reserved.