2,4-二甲基-5-苯基戊-2,4-二烯酸 | 58550-29-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2,4-二甲基-5-苯基戊-2,4-二烯酸
• 英文名称: 2,4-Dimethyl-5-phenylpenta-2,4-dienoic acid
• CAS: 58550-29-1
• 化学式: C₁₃H₁₄O₂
• 分子量: 202.25
• InChiKey: IYKLJXQYSMUBEO-UHFFFAOYSA-N

物化性质

• 沸点：
  367.3±21.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Carbamic acid compounds comprising an amide linkage as hdac inhibitors
  申请人：——

  公开号：US20040092598A1

  公开（公告）日：2004-05-13

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the formula (1) wherein: A is an aryl group; Q1 is an aryl leader group having a backbone of at least 2 carbon atoms; J is an amide linkage selected from: —NR1C(═O)—and —C(═O)NR1—; R1 is an amido substituent; and, Q2 is an acid leader group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psoriasis.

  这项发明涉及抑制HDAC活性的某些活性碳酸酰胺化合物，其化学式为（1），其中：A是芳基；Q1是至少有2个碳原子骨架的芳基前导基团；J是选择自以下的酰胺键：—NR1C(═O)—和—C(═O)NR1—；R1是酰胺取代基；Q2是酸前导基团；以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这种化合物的药物组合物，以及在体外和体内使用这种化合物和组合物来抑制HDAC，例如，抑制增殖性疾病，如癌症和牛皮癣。
• CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS
  申请人：Watkins Clare J.

  公开号：US20100249197A1

  公开（公告）日：2010-09-30

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the formula (1) wherein: A is an aryl group; Q 1 is an aryl leader group having a backbone of at least 2 carbon atoms; J is an amide linkage selected from: —NR 1 C(═O)— and —C(═O)NR 1 —; R 1 is an amido substituent; and, Q 2 is an acid leader group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psorias

  本发明涉及某些活性碳酰胺酸化合物，其抑制HDAC活性，其具有式（1），其中：A是芳基基团；Q1是至少具有2个碳原子骨架的芳基前导基团；J是选择自以下的酰胺连接：—NR1C(═O)—和—C(═O)NR1—；R1是酰胺取代基；以及Q2是酸前导基团；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包括这种化合物的制药组合物，以及使用这种化合物和组合物，在体内外抑制HDAC，例如抑制增殖性疾病，如癌症和银屑病。
• Carbamic acid compounds comprising an amide linkage as HDAC inhibitors
  申请人：TopoTarget UK Limited

  公开号：EP1598067A1

  公开（公告）日：2005-11-23

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the following formula: wherein: A is an aryl group; Q1 is an aryl leader group having a backbone of at least 2 carbon atoms; J is an amide linkage selected from: -NR1C(=O)- and -C(=O)NR1-; R1 is an amido substituent; and, Q2 is an acid leader group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof, for use in the treatment of parasitic infections, such as malaria.

  本发明涉及某些抑制 HDAC 活性的活性氨基甲酸化合物，它们具有下式： 其中A是芳基；Q1是具有至少2个碳原子骨架的芳基领导基团；J是选自-NR1C(＝O)-和-C(＝O)NR1-的酰胺连接；R1是氨基取代基；Q2是酸领导基团；及其药学上可接受的盐、溶液剂、酰胺、酯、醚、化学保护形式和原药，用于治疗寄生虫感染，如疟疾。
• Carbamic acid compounds comprising an amide linkage for the treatment of malaria
  申请人：TopoTarget UK Limited

  公开号：EP1598067B1

  公开（公告）日：2009-05-06
• US3945831A
  申请人：——

  公开号：US3945831A

  公开（公告）日：1976-03-23