1-(2-Cyclohexylethyl)-1H-imidazole-4-carboxaldehyde | 570398-13-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-Cyclohexylethyl)-1H-imidazole-4-carboxaldehyde
• 英文别名: 1-(2-cyclohexylethyl)imidazole-4-carbaldehyde
• CAS: 570398-13-9
• 化学式: C₁₂H₁₈N₂O
• 分子量: 206.288
• InChiKey: NEJAZTRECPSKQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-Cyclohexylethyl)-1H-imidazole-4-carboxaldehyde 、 4-[(4-甲氧基苯基)甲基]吗啉-3-酮 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 2-[[1-(2-Cyclohexylethyl)imidazol-4-yl]-hydroxymethyl]-4-[(4-methoxyphenyl)methyl]morpholin-3-one
  参考文献：
  名称：

  Oxygenated analogues of UK-396082 as inhibitors of activated thrombin activatable fibrinolysis inhibitor

  摘要：

  A suitable inhibitor of activated thrombin activatable. brinolysis inhibitor (TAFIa) has the potential to be a novel treatment for thrombosis. The TAFIa inhibitor UK-396082 (1) was used as a starting point to seek more potent analogues. With knowledge of encouraging human pharmacokinetics and toleration for the clinical candidate (1), the programme continued to seek structure-activity relationships (SAR) that could positively impact on both potency and half-life, and therefore the projected dose of any future nominated clinical agent. A series of oxygenated analogues based on compound 1 were prepared to evaluate changes in pharmacology, selectivity and pharmacokinetics. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.029
• 作为产物：
  描述：

  2-环己基溴乙烷 、 4-咪唑甲醛 以 四氢呋喃 、 乙酸乙酯 、 mineral oil 为溶剂， 生成 1-(2-Cyclohexylethyl)-1H-imidazole-4-carboxaldehyde
  参考文献：
  名称：

  3-(Imidazolyl)-2-alkoxypropanoic acids

  摘要：

  根据公式（I）中的化合物，其中n为0-3，R1为可选择的取代C1-6烷基，C2-6烯基或C2-6炔基，杂环，芳香杂环，芳基或氢，而R2、R3、R4、R5、R6、R7、R8和R9分别独立选择自氢和可选择取代的C1-6烷基，或R5和R8为烷基链，是新颖的。它们在治疗与纤维蛋白沉积相关的血栓性疾病和其他病理条件中具有用途。

  公开号：

  US20030199522A1

文献信息

• 3-(imidazolyl)-2-alkoxypropanoic acids
  申请人：Pfizer Inc.

  公开号：US20040254164A1

  公开（公告）日：2004-12-16

  Compounds according to formula (I) wherein n is 0-3, R′ is optionally substituted C 1-6 alkyl, C 2-6 alkenyl, or C 2-6 alkynyl, Heterocycle, Aromatic heterocycle, Aryl or hydrogen and R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 are each independently selected from hydrogen and optionally substituted C 1-6 alkyl, or R 5 and R 8 are an alkylene chain, are novel. They are useful in the treatment of thrombotic conditions and other pathologies associated with fibrin deposition. 1

  化学式为（I）的化合物中，n为0-3，R′为可选取代的C1-6烷基，C2-6烯基或C2-6炔基，杂环，芳香杂环，芳基或氢，而R2，R3，R4，R5，R6，R7，R8和R9各自独立地选择氢和可选取代的C1-6烷基，或者R5和R8是一个烷基链，这些化合物是新颖的。它们在治疗与纤维蛋白沉积相关的血栓性疾病和其他病理情况中有用。
• US6713496B2
  申请人：——

  公开号：US6713496B2

  公开（公告）日：2004-03-30
• US6958402B2
  申请人：——

  公开号：US6958402B2

  公开（公告）日：2005-10-25
• [EN] 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS<br/>[FR] ACIDES 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIQUES SERVANT D'INHIBITEURS TAFIA
  申请人：PFIZER LTD

  公开号：WO2003061652A1

  公开（公告）日：2003-07-31

  Compounds according to formula (I) wherein n is 0-3, R1 is optionally substituted C1-6 alkyl, C2-6 alkenyl, or C2-6 alkynyl, Heterocycle, Aromatic heterocycle, Aryl or hydrogen and R2, R3, R4, R5, R6, R7, R8 and R9 are each independently selected from hydrogen and optionally substituted C 1-6 alkyl, or R5 and R8 are an alkylene chain, are novel. They are useful in the treatment of thrombotic conditions and other pathologies associated with fibrin deposition.
• 3-(Imidazolyl)-2-alkoxypropanoic acids
  申请人：Pfizer Inc.

  公开号：US20030199522A1

  公开（公告）日：2003-10-23

  Compounds according to formula (I) wherein n is 0-3, R 1 is optionally substituted C 1-6 alkyl, C 2-6 alkenyl, or C 2-6 alkynyl, Heterocycle, Aromatic heterocycle, Aryl or hydrogen and R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 are each independently selected from hydrogen and optionally substituted C 1-6 alkyl, or R 5 and R 8 are an alkylene chain, are novel. They are useful in the treatment of thrombotic conditions and other pathologies associated with fibrin deposition. 1

  根据公式（I）中的化合物，其中n为0-3，R1为可选择的取代C1-6烷基，C2-6烯基或C2-6炔基，杂环，芳香杂环，芳基或氢，而R2、R3、R4、R5、R6、R7、R8和R9分别独立选择自氢和可选择取代的C1-6烷基，或R5和R8为烷基链，是新颖的。它们在治疗与纤维蛋白沉积相关的血栓性疾病和其他病理条件中具有用途。