(E)-3-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]acrylic acid trifluoroacetate | 1123193-85-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-3-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]acrylic acid trifluoroacetate
• 英文别名: (E)-3-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]prop-2-enoic acid;2,2,2-trifluoroacetic acid
• CAS: 1123193-85-0
• 化学式: C₂HF₃O₂*C₁₃H₁₃N₃O₃
• 分子量: 373.288
• InChiKey: HGSQDTGKCADEBJ-CVDVRWGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1-amino-3-[2-(trifluoromethyl)phenyl]piperidin-2-one 、 (E)-3-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]acrylic acid trifluoroacetate 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 (E)-3-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)-pyridin-2-yl]-N-[2-oxo-3-(2-trifluoromethylphenyl)piperidin-1-yl]acrylamide
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS
  [FR] PROCÉDÉ DE PRÉPARATION DE CERTAINS COMPOSÉS DE CINNAMIDE

  摘要：

  这项发明涉及一种新的合成方法，中间体和前体，导致如下所示的化合物11和12的混合物。它还涉及对立体异构物混合物进行分离，以在实质上的立体化学纯度中提供化合物12。该发明的合成涉及制备如下所示的化合物7和化合物10，以及它们的反应以制备化合物11和化合物12的混合物。

  公开号：

  WO2010025197A1

文献信息

• MULTI-CYCLIC COMPOUNDS
  申请人：KIMURA Teiji

  公开号：US20090062529A1

  公开（公告）日：2009-03-05

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar 2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X 1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  一种由化学式(I)表示的化合物或其药理学可接受的盐，其中Ar1代表可用C1-6烷基基团取代的咪唑基团或类似基团，Ar2代表可用C1-6烷氧基团取代的苯基团或类似基团，X1代表双键或类似基团，Het代表可用C1-6烷基基团或类似基团取代的三唑基团或类似基团，对由Aβ引起的疾病具有治疗或预防作用。
• PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS
  申请人：Nakamura Taiju

  公开号：US20110172427A1

  公开（公告）日：2011-07-14

  This invention relates to a new synthesis, intermediates and precursors leading to a mixture of the compounds 11 and 12 as shown below. It also relates to the resolution of the stereoisomeric mixture to provide in substantial stereochemical purity compound 12. The synthesis of the invention involves preparation of compound 7 and compound 10 as shown below and their reaction to prepare a mixture of compound 11 and compound 12.

  本发明涉及一种新的合成方法、中间体和前体，可导致化合物11和12的混合物。它还涉及对立体异构混合物的分离，以在实质上立体化学纯度下提供化合物12。该发明的合成涉及制备化合物7和化合物10，如下所示，并将它们反应以制备化合物11和化合物12的混合物。
• SALT OF TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE AND CRYSTAL THEREOF
  申请人：Minamisono Takuma

  公开号：US20110275822A1

  公开（公告）日：2011-11-10

  The present invention provides a crystal of a 1.5 D-tartrate of a compound represented by the formula (1) having an A production inhibitory effect, characterized in that the crystal has a diffraction peak at a diffraction angle (20.2) of 23.2 in powder X-ray diffractometry; a crystal of a disulfate of the compound of the formula (1), characterized in that the crystal has a diffraction peak at a diffraction angle (20.2) of 17.1 in powder X-ray diffractometry; various other salts of the compound of the formula (1); crystal polymorphs of these salts; and the like, which are expected to be used as drug substances.

  本发明提供了一种具有A产生抑制作用的化合物的1.5D-酒石酸晶体，其特征在于该晶体在粉末X射线衍射法中具有在衍射角（20.2）为23.2的衍射峰；一种化合物的二硫酸盐的晶体，其特征在于该晶体在粉末X射线衍射法中具有在衍射角（20.2）为17.1的衍射峰；化合物的各种其他盐；这些盐的晶体多态形式；以及预期用作药物物质的类似物。
• IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF
  申请人：KIMURA Teiji

  公开号：US20110065696A1

  公开（公告）日：2011-03-17

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar 2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X 1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  化合物的化学式为(I)或其药理学上可接受的盐，其中Ar1代表咪唑基团或类似基团，该基团可能被C1-6烷基取代，Ar2代表苯基或类似基团，该基团可能被C1-6烷氧基取代，X1代表双键或类似基团，Het代表三唑基团或类似基团，该基团可能被C1-6烷基或类似基团取代，可用作治疗或预防由Aβ引起的疾病的药物。
• Imidazoyl pyridine compounds and salts thereof
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07935815B2

  公开（公告）日：2011-05-03

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  化合物的化学式为（I）或其药学上可接受的盐，其中Ar1代表咪唑基团或类似基团，可以用C1-6烷基基团取代，Ar2代表苯基团或类似基团，可以用C1-6烷氧基基团取代，X1代表双键或类似基团，Het代表三唑基团或类似基团，可以用C1-6烷基基团或类似基团取代，对由Aβ引起的疾病具有治疗或预防作用。