hex-2-en-4-ynedioic acid | 20011-47-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: hex-2-en-4-ynedioic acid
• 英文别名: Hex-2-en-4-indisaeure；(e)-But-3-en-1-yne-1,4-dicarboxylic acid；(E)-hex-2-en-4-ynedioic acid
• CAS: 20011-47-6
• 化学式: C₆H₄O₄
• 分子量: 140.095
• InChiKey: BNKVGQROEKSRGL-HNQUOIGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  hex-2-en-4-yne-1,6-diol 在 chromium(III) oxide 、 硫酸 、 丙酮 作用下， 生成 hex-2-en-4-ynedioic acid
  参考文献：
  名称：

  Heilbron; Jones; Sondheimer, Journal of the Chemical Society, 1949, p. 606

  摘要：

  DOI：

文献信息

• [EN] FUMARATE ANALOGS AND USES THEREOF IN THE TREATMENT OF AN AUTOIMMUNE DISEASE OR AN INFLAMMATORY DISEASE<br/>[FR] ANALOGUES DE FUMARATE ET LEURS UTILISATIONS DANS LE TRAITEMENT D'UNE MALADIE AUTO-IMMUNE OU D'UNE MALADIE INFLAMMATOIRE
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2016022434A1

  公开（公告）日：2016-02-11

  Aspects of the present disclosure include compounds of formula (A) that find use for the treatment of a variety of autoimmune and inflammatory diseases and disorders. Embodiments of the present disclosure also relate to pharmaceutical compositions that include these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes. Formula (A).

  本公开涉及的方案包括式（A）的化合物，该化合物可用于治疗各种自身免疫性和炎症性疾病和疾病。本公开的实施例还涉及包括这些化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的过程以及在这些过程中有用的中间体。方案（A）。
• ALIPHATIC AMINO ACID BIOSYNTHESIS INHIBITORS AND A METHOD OF SYNTHESIZING THE SAME
  申请人：Sardari Soroush

  公开号：US20130289104A1

  公开（公告）日：2013-10-31

  The embodiments herein provide a composition and a method of synthesizing a composition comprising an aliphatic amino acid biosynthesis inhibitor having an antifungal activity. The composition comprises 2-oxo-2H-chromen-7-yl propiolate, diethyl-hex-2-en-4-yne-dioate and dinonyl-hex-2-en-4-yne-dioate. The composition inhibits a biosynthesis of an aliphatic amino acid in a fungal biological system. The aliphatic amino acid is selected from a group consisting of leucine, isoleucine and valine. The composition is used with a concentration of 0-200 μg/ml. The method comprises mixing solutions of dicyclohexylcarbodiimide (DCC) and Dimethylaminopyridine (DMAP) with alcohol, acetylene carboxylic acid and dichloromethane to obtain a mixture which is stirred filtered and washed with ether. The solvents are evaporated to obtain a residue that is dissolved in dichloromethane and stirred with a catalyst. The extra solvents are evaporated to obtain the derivative compound and purified by silica gel column chromatography.

  本文提供了一种合成含有具有抗真菌活性的脂肪族氨基酸生物合成抑制剂的组合物和合成组合物的方法。该组合物包括2-氧代-2H-香豆素-7-基丙炔酸酯、二乙基-己-2-烯-4-炔二酸酯和二辛基-己-2-烯-4-炔二酸酯。该组合物在真菌生物系统中抑制脂肪族氨基酸的生物合成。脂肪族氨基酸选自亮氨酸、异亮氨酸和缬氨酸等一组氨基酸。该组合物的使用浓度为0-200μg/ml。该方法包括将二环己基碳二亚胺（DCC）和二甲基氨基吡啶（DMAP）的溶液与醇、乙炔羧酸和二氯甲烷混合，以获得混合物，该混合物经过搅拌、过滤和乙醚洗涤。然后蒸发溶剂以获得残留物，该残留物在二氯甲烷中溶解并与催化剂搅拌。额外的溶剂被蒸发以获得衍生物化合物，并通过硅胶柱层析纯化。
• Fumarate analogs and uses thereof
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US11129819B2

  公开（公告）日：2021-09-28

  Aspects of the present disclosure include compounds that find use for the treatment of a variety of autoimmune and inflammatory diseases and disorders. Embodiments of the present disclosure also relate to pharmaceutical compositions that include these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本公开的各个方面包括可用于治疗各种自身免疫性和炎症性疾病和失调的化合物。本公开的实施方案还涉及包括这些化合物的药物组合物、使用这些化合物治疗各种疾病和失调的方法、制备这些化合物的工艺以及在这些工艺中有用的中间体。
• FUMARATE ANALOGS AND USES THEREOF IN THE TREATMENT OF AN AUTOIMMUNE DISEASE OR AN INFLAMMATORY DISEASE
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：EP3177599A1

  公开（公告）日：2017-06-14
• Fumarate Analogs and Uses Thereof
  申请人：RIGEL PHARMACEUTICALS, INC.

  公开号：US20170065569A1

  公开（公告）日：2017-03-09

  Aspects of the present disclosure include compounds that find use for the treatment of a variety of autoimmune and inflammatory diseases and disorders. Embodiments of the present disclosure also relate to pharmaceutical compositions that include these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.