(E)-2-(7-trifluoromethylchroman-4-ylidene)-N-((7R )-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide | 920332-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (E)-2-(7-trifluoromethylchroman-4-ylidene)-N-((7R )-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
• 英文别名: (E)-2-(7-trifluoromethylchroman-4-ylidene)-N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalene-1-yl]acetamide；(E,R)-2-(7-trifluoromethyl-chroman-4-ylidene)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide；Motugivatrep；(2E)-N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide
• CAS: 920332-28-1
• 化学式: C₂₂H₂₀F₃NO₃
• 分子量: 403.401
• InChiKey: MAWBBYZCTDJMDD-HFQYIWAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (R)-8-bromo-1,2,3,4-tetrahydronaphthalene-2-ol 在 N-甲基吡咯烷酮 、 copper(I) oxide 、 ammonium hydroxide 、 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 作用下， 以 异丙醇 为溶剂， 反应 62.0h， 生成 (E)-2-(7-trifluoromethylchroman-4-ylidene)-N-((7R )-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
  参考文献：
  名称：

  JP6830569

  摘要：

  公开号：

文献信息

• Novel Heterocyclidene Acetamide Derivative
  申请人：Uchida Hideharu

  公开号：US20080287428A1

  公开（公告）日：2008-11-20

  A compound represented by formula (I′): (wherein m, n, and p each represent 0 to 2; q represents 0 or 1; R 1 represents halogen, a hydrocarbon group, a heterocyclic group, an alkoxy group, an alkoxycarbonyl group, a sulfamoyl group, a CN group, an NO 2 group, or the like; R 2 represents halogen, amino, a hydrocarbon group, an aromatic heterocyclic group, or an oxo group; X 1 represents O, —NR 3 —, or —S(O)r-; X 2 represents a methylene group, O, —NR 3 —, or —S(O)r-; Q′ represents a heteroaryl group, a heteroarylalkyl group, a substituted aryl group, or an aralkyl group; Cycle moiety represents an aryl ring or a heteroaryl ring; and the wavy line represents an E-isomer or a Z-isomer), a salt of the compound, or a solvate of the compound or the salt. A pharmaceutical composition and a transient receptor potential type I (TRPV1) receptor antagonist each contain, as an active ingredient, at least one of the compound, a salt of the compound, and a solvate of the compound or the salt.

  一个由式(I′)表示的化合物：（其中m、n和p分别表示0到2；q表示0或1；R1表示卤素、烃基、杂环基、烷氧基、烷氧羰基、磺酰胺基、CN基团、NO2基团等；R2表示卤素、氨基、烃基、芳香杂环基或醛基；X1表示O、—NR3—或—S(O)r-；X2表示亚甲基、O、—NR3—或—S(O)r-；Q′表示异芳基基团、异芳基烷基基团、取代芳基基团或芳基烷基基团；Cycle moiety代表芳基环或杂芳基环；波浪线表示E异构体或Z异构体），该化合物的盐，或该化合物或其盐的溶剂络合物。一种药物组合物和一种瞬时受体电位类型I（TRPV1）受体拮抗剂，每种包含至少一种该化合物、该化合物的盐，或该化合物或其盐的溶剂络合物作为活性成分。
• CRYSTAL OF HETEROCYCLIDENE ACETAMIDE DERIVATIVE
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：EP3636640A1

  公开（公告）日：2020-04-15

  The present invention provides a type I crystal of (E)-2-(7-trifluoromethyl-chroman-4-ylidene)-N-((7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide having excellent TRPV1 antagonistic activity, a drug and a pharmaceutical composition containing this crystal, and a method for producing the crystal. The present invention provides a type I crystal of (E)-2-(7-trifluoromethyl-chroman-4-ylidene)-N-((7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide that is excellent in at least one feature selected from the group consisting of storage stability, photostability and thermodynamic stability, that can be preferably obtained with industrially high reproducibility, yield and purity, and that is useful as a crystal of an active pharmaceutical ingredient.

  本发明提供了一种具有优异TRPV1拮抗活性的(E)-2-(7-三氟甲基-苯并二氢吡喃-4-亚基)-N-((7R)-7-羟基-5,6,7,8-四氢萘-1-基)乙酰胺的I型晶体、含有该晶体的药物和药物组合物，以及生产该晶体的方法。本发明提供了(E)-2-(7-三氟甲基-苯并二氢吡喃-4-亚基)-N-((7R)-7-羟基-5,6,7,8-四氢萘-1-基)乙酰胺的Ⅰ型晶体，该晶体至少在选自贮存稳定性、光稳定性和热力学稳定性的组中的一个特征方面具有优异的性能，最好能以工业上较高的重现性、产率和纯度获得，并且可用作活性药物成分的晶体。
• METHOD FOR PRODUCING HETEROCYCLIDENE ACETAMIDE DERIVATIVES
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：EP4019485A1

  公开（公告）日：2022-06-29

  The present invention provides, a novel method for producing a compound represented by formula (I) and a novel method for producing a compound represented by formula (B) or a salt thereof, which are intermediates in the production of formula (I).

  本发明提供了一种生产式 (I) 所代表化合物的新方法和一种生产式 (B) 所代表化合物或其盐的新方法，它们是生产式 (I) 的中间体。
• Crystal of a heterocyclidene acetamide derivative
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：US10208010B2

  公开（公告）日：2019-02-19

  The present invention provides a type I crystal of (E)-2-(7-trifluoromethyl-chroman-4-ylidene)-N-((7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide having excellent TRPV1 antagonistic activity, a drug and a pharmaceutical composition containing this crystal, and a method for producing the crystal. The present invention provides a type I crystal of (E)-2-(7-trifluoromethyl-chroman-4-ylidene)-N-((7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide that is excellent in at least one feature selected from the group consisting of storage stability, photostability and thermodynamic stability, that can be preferably obtained with industrially high reproducibility, yield and purity, and that is useful as a crystal of an active pharmaceutical ingredient.

  本发明提供了一种具有优异TRPV1拮抗活性的(E)-2-(7-三氟甲基-苯并二氢吡喃-4-亚基)-N-((7R)-7-羟基-5,6,7,8-四氢萘-1-基)乙酰胺的I型晶体、含有该晶体的药物和药物组合物，以及生产该晶体的方法。本发明提供了(E)-2-(7-三氟甲基-苯并二氢吡喃-4-亚基)-N-((7R)-7-羟基-5,6,7,8-四氢萘-1-基)乙酰胺的Ⅰ型晶体，该晶体至少在选自贮存稳定性、光稳定性和热力学稳定性的组中的一个特征方面具有优异的性能，最好能以工业上较高的重现性、产率和纯度获得，并且可用作活性药物成分的晶体。
• NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP1908753B1

  公开（公告）日：2014-12-17