ethanoic acid ethylidene-ethenyl ester | 50989-92-9

• 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: ethanoic acid ethylidene-ethenyl ester
• 英文别名: (r)-Buta-1,2-dienyl acetate
• CAS: 50989-92-9
• 化学式: C₆H₈O₂
• 分子量: 112.128
• InChiKey: AXCOEHKDXBVMTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethanoic acid ethylidene-ethenyl ester 在 硫酸 作用下， 以 乙醇 为溶剂， 生成 丁烯-2-醛
  参考文献：
  名称：

  Mechanism of hydrolysis of allenyl acetates

  摘要：

  DOI：

  10.1021/ja00521a042
• 作为产物：
  描述：

  (+/-)-3-acetyloxy-1-butyne 在 silver perchlorate 作用下， 生成 ethanoic acid ethylidene-ethenyl ester
  参考文献：
  名称：

  Preparation of allenyl esters

  摘要：

  DOI：

  10.1021/jo00430a031

文献信息

• [EN] 2,3-DISUBSTITUTED 1 -ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS 2,3-DISUBSTITUÉS DE 1-ACYL-4-AMINO-1,2,3,4-TÉTRAHYDROQUINOLÉINE ET LEUR UTILISATION COMME INHIBITEURS DE BROMODOMAINES
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2014140076A1

  公开（公告）日：2014-09-18

  The present invention relates to novel compounds of formula (I), wherein R1 is C1-4alkyl; R2 is C1-4alkyl, C3-7cycloalkyl, -CH2CF3, -CH2OCH3 or heterocyclyl; R3 is C1-4alkyl, -CH2F, -CH2OH or -CH2O(O)CH3; R4 when present is as defined in claim 1; R5 when present is H, halo, hydroxy or C1-6alkoxy; A is -NH-, -O-, -S-, -SO-, -SO2-, -N(C1-4alkyl)- or -NC(O)(CH3)-; V is phenyl, heteroaromatic or pyridone any of which may be optionally substituted by 1, 2 or 3 substituents; W is CH or N; X is C or N; Y is C or N; and Z is CH or N; subject to the proviso that no more than 2 of W, X, Y and Z are N, pharmaceutical compositions containing such compounds and to their use as bromodomain inhibitors.

  本发明涉及式(I)的新化合物，其中R1为C1-4烷基；R2为C1-4烷基、C3-7环烷基、-CH2CF3、-CH2OCH3或杂环烷基；R3为C1-4烷基、-CH2F、-CH2OH或-CH2O(O)CH3；R4存在时如权利要求1所定义；R5存在时为H、卤素、羟基或C1-6烷氧基；A为-NH-、-O-、-S-、-SO-、-SO2-、-N(C1-4烷基)-或-NC(O)(CH3)-；V为苯基、杂芳基或吡啶酮，其中任何一个可以选择性地被1、2或3个取代基取代；W为CH或N；X为C或N；Y为C或N；Z为CH或N；但W、X、Y和Z中不超过2个为N，含有这种化合物的药物组合物以及它们作为溴结构域抑制剂的用途。
• 3,4,6-Substituted pyridazines for treating neuropathic pain and associated syndromes
  申请人：Sultzbaugh Lance

  公开号：US20070191365A1

  公开（公告）日：2007-08-16

  The present invention is directed to the use of 3,4,6-substituted pyridazines such as those characterized by structure I for treating conditions such as neuropathic pain among others.

  本发明涉及使用3,4,6-取代吡啶嗪，如结构I所示的化合物，用于治疗神经病痛等疾病。
• [EN] THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS<br/>[FR] THIÉNO[3,2-C]PYRIDIN-4(5H)-ONES UTILES COMME INHIBITEURS DE BET
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2014078257A1

  公开（公告）日：2014-05-22

  Thienopyridone compounds of formula (I) or a salt thereof, pharmaceutical compositions containing such compounds and their use in therapy, in particular in the treatment of diseases or conditions for which a bromodomain inhibitor is indicated.

  噻诺吡啶酮化合物或其盐，含有该化合物的药物组合物及其在治疗中的用途，特别是在溴结构域抑制剂用于治疗的疾病或症状中。
• [EN] ANTI-AMYLOID COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS ANTI-AMYLOÏDES ET PROCÉDÉS
  申请人：TREVENTIS CORP

  公开号：WO2012119035A1

  公开（公告）日：2012-09-07

  Anti-amyloid compounds are provided along with methods of use thereof.

  反淀粉样蛋白化合物及其用途方法。
• Dioxanes and uses thereof
  申请人：——

  公开号：US20040072849A1

  公开（公告）日：2004-04-15

  In recognition of the need to develop novel therapeutic agents and efficient methods for the synthesis thereof, the present invention provides novel compounds of general formula (I): 1 and pharmaceutically acceptable derivatives thereof, wherein R 1 , R 2 , R 3 , n, X and Y are as defined herein. The present invention also provides pharmaceutical compositions comprising a compound of formula (I) and a pharmaceutically acceptable carrier. The present invention further provides compounds capable of inhibiting histone deacetylatase activity and methods for treating disorders regulated by histone deacetylase activity (e.g., cancer and protozoal infections) comprising administering a therapeutically effective amount of a compound of formula (I) to a subject in need thereof. The present invention additionally provides methods for modulating the glucose-sensitive subset of genes downstream of Ure2p. The present invention also provides methods for preparing compounds of the invention.

  鉴于需要开发新型治疗剂和有效的合成方法，本发明提供了一般式(I)的新化合物： 1 及其药学上可接受的衍生物，其中R 1 ，R 2 ，R 3 ，n，X和Y如本文所定义。本发明还提供了包含一种式(I)化合物和药学上可接受的载体的药物组合物。本发明还提供了能够抑制组蛋白去乙酰化酶活性的化合物以及治疗由组蛋白去乙酰化酶活性调节的疾病的方法（例如，癌症和原虫感染），包括向需要的受体施用一种式(I)化合物的治疗有效量。本发明还提供了调节Ure2p下游葡萄糖敏感基因子集的方法。本发明还提供了制备本发明化合物的方法。