2-Cyano-3-hydroxythiophen | 57059-19-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-Cyano-3-hydroxythiophen
• 英文别名: 2-cyano-3-hydroxythiophene；3-hydroxy-2-cyanothiophene；3-hydroxy-thiophene-2-carbonitrile；3-Hydroxythiophene-2-carbonitrile
• CAS: 57059-19-5
• 化学式: C₅H₃NOS
• mdl: MFCD00130101
• 分子量: 125.151
• InChiKey: WAPUQRUUNVTMJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Cyano-3-hydroxythiophen 生成 3-Amino-2-cyanothieno<3,2-b>furan
  参考文献：
  名称：

  PANKIEWICZ J.; DECROIX B.; MOREL J., C. R. ACAD. SCI. , 1975, C 281, NO 1, 39-41

  摘要：

  DOI：
• 作为产物：
  描述：

  3-hydroxy-2-thiophenecarboxamide 在 吡啶 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 生成 2-Cyano-3-hydroxythiophen
  参考文献：
  名称：

  5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-ε kinase

  摘要：

  The identification and hit-to-lead exploration of a novel, potent and selective series of substituted benzimidazole-thiophene carbonitrile inhibitors of IKK-epsilon kinase is described. Compound 12e was identified with an IKK-epsilon enzyme potency of pIC(50) 7.4, and has a highly encouraging wider selectivity profile, including selectivity within the IKK kinase family.

  DOI：

  10.1016/j.bmcl.2006.09.018

文献信息

• Thiapentanamide derivatives
  申请人：Shell Internationale Research Maatschappij, B.V.

  公开号：US05153330A1

  公开（公告）日：1992-10-06

  A compound of the general formula ##STR1## in which X represents a chlorine or bromine atom, R.sup.1 represents a hydrogen atom, a C(1-6) alkyl group, a benzyl group or a phenyl group optionally substituted by a C(1-6) alkyl group, and R.sup.2 represents the group CN or the group COOR.sup.3 in which R.sup.3 represents a C(1-6) alkyl group, a process for the preparation of a compound of formula (I), and the use of a compound of formula (I) in the preparation of a compound of the general formula. ##STR2## in which R.sup.1 is as defined above and R.sup.4 represents an amino group or a hydroxyl group.

  通式为##STR1##的化合物，其中X代表氯或溴原子，R.sup.1代表氢原子，C(1-6)烷基，苄基或苯基，可以选择性地被C(1-6)烷基取代，而R.sup.2代表CN基团或COOR.sup.3基团，其中R.sup.3代表C(1-6)烷基，一种制备式(I)化合物的方法，以及使用式(I)化合物制备通式##STR2##中的化合物的用途，其中R.sup.1如上所定义，而R.sup.4代表氨基团或羟基团。
• Antibacterial penem derivatives
  申请人：Hoechst UK Limited

  公开号：US04738959A1

  公开（公告）日：1988-04-19

  The present invention relates to certain penem derivatives of the general formula I ##STR1## in which R represents a hydrogen atom or a carboxyl esterifying group, R.sup.1 represents certain unsubstituted and substituted aromatic and heterocyclic groups, and R.sup.2 represents a hydrogen atom, an unsubstituted or substituted alkyl or aryl group. The compound of formula I and salts thereof may be used in the treatment of bacterial infections in man and other animals.

  本发明涉及一定的环戊酮类衍生物，其一般式为I，其中R代表氢原子或羧酯基，R.sup.1代表某些未取代和取代的芳香和杂环基团，R.sup.2代表氢原子、未取代或取代的烷基或芳基团。式I的化合物及其盐可用于治疗人类和其他动物的细菌感染。
• Aromatization of dihydrothiophenes. Thiophenesaccharin: a sweet surprise
  作者：Phillip A. Rossy、Werner Hoffmann、Norbert Mueller

  DOI：10.1021/jo01292a012

  日期：1980.2
• Pankiewicz,J. et al., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1975, vol. 281, p. 39 - 41
  作者：Pankiewicz,J. et al.

  DOI：——

  日期：——
• 5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-ε kinase
  作者：Paul Bamborough、John A. Christopher、Geoffrey J. Cutler、Marion C. Dickson、Geoffrey W. Mellor、James V. Morey、Champa B. Patel、Lisa M. Shewchuk

  DOI：10.1016/j.bmcl.2006.09.018

  日期：2006.12

  The identification and hit-to-lead exploration of a novel, potent and selective series of substituted benzimidazole-thiophene carbonitrile inhibitors of IKK-epsilon kinase is described. Compound 12e was identified with an IKK-epsilon enzyme potency of pIC(50) 7.4, and has a highly encouraging wider selectivity profile, including selectivity within the IKK kinase family.