阿卡他定3-羧酸(阿卡他定代谢物) | 147083-93-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 中文名称: 阿卡他定3-羧酸(阿卡他定代谢物)
• 中文别名: 3-羧酸 (阿卡他定代谢物)
• 英文名称: R090692
• 英文别名: [14C]-R090692；[3H]-R090692；6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-imidazo[2,1-b][3]benazepine-3-carboxylic acid；6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-imidazo[2,1-b][3]benzazepine-3-carboxylic acid；Alcaftadine carboxylic acid；11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylic acid
• CAS: 147083-93-0
• 化学式: C₁₉H₂₁N₃O₂
• 分子量: 323.395
• InChiKey: HGWYFQCFNPVJKM-UHFFFAOYSA-N

物化性质

• 沸点：
  606.3±65.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  58.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

文献信息

• [EN] IMIDAZO(2,1-B)(3)BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：WO1992022551A1

  公开（公告）日：1992-12-23

  (EN) The present invention is concerned with novel imidazo[2,1-b][3]benzazepines of formula (I), the pharmaceutically acceptable addition salts and stereochemically isomeric forms thereof, wherein each of the dotted lines independently represents an optional bond; R1 represents hydrogen, halo, C1-4alkyl or C1-4alkyloxy; R2 represents hydrogen, halo, C1-4alkyl or C1-4alkyloxy; R3 represents hydrogen, C1-4alkyl, ethenyl substituted with hydroxycarbonyl or C1-4alkyloxycarbonyl, C1-4alkyl substituted with hydroxycarbonyl or C1-4alkyloxycarbonyl, hydroxyC1-4alkyl, formyl or hydroxycarbonyl; R4 represents hydrogen, C1-4alkyl, hydroxyC1-4alkyl, phenyl or halo; R5 represents hydrogen, C1-4alkyl or halo; L represents hydrogen; C1-6alkyl; C1-6alkyl substituted with one substituent selected from the group consisting of hydroxy, halo, C1-4alkyloxy, hydroxycarbonyl, C1-4alkyloxycarbonyl, C1-4alkyloxycarbonyl-C1-4alkyloxy, hydroxycarbonylC1-4alkyloxy, C1-4alkyloxycarbonylamino, C1-4alkylaminocarbonyl, C1-4alkylaminocarbonylamino, C1-4alkylaminothiocarbonylamino, aryl, aryloxy and arylcarbonyl; C1-6alkyl substituted with both hydroxy and aryloxy; C3-6alkenyl; C3-6alkenyl substituted with aryl; or, L represents a radical of formula -Alk-Y-Het1 (a-1), -Alk-NH-CO-Het2 (a-2) or -Alk-Het3 (a-3); provided that 6,11-dihydro-11-(4-piperidinylidene)-5$i(H)-imidazo[2,1-b][3]benzazepine is excluded, which are useful antiallergic compounds. Compositions comprising said compounds, methods of using and processes for preparing the same.(FR) La présente invention concerne de nouvelles imidazo[2,1-b][3]benzazépines de la formule (I), les sels d'addition pharmaceutiquement acceptables et les formes stéréochimiquement isomerés de celles-ci, dans laquelle chacune des lignes pointillées représente indépendamment une liaison optionnelle; R1 représente hydrogène, halo, C1-4alkyle ou C1-4alkyloxy; R3 représente hydrogène, C1-4alkyle, éthényle substitué avec hydroxycarbonyle ou C1-4alkyloxycarbonyle, C1-4alkyle substitué avec hydroxycarbonyle ou C1-4 alkyloxycarbonyle, hydroxy-C1-4alkyle, formyle ou hydroxycarbonyle; R4 représente hydrogène, C1-4alkyle, hydroxyC1-4alkyle, phényle ou halo; R5 représente hydrogène, C1-4alkyle ou halo; L représente hydrogène; C1-6alkyle; C1-6alkyle substitué avec un substituant choisi dans le groupe comportant hydroxy, halo, C1-4alkyloxy, hydroxycarbonyle, C1-4alkyloxycarbonyle, C1-4alkyloxycarbonyle-C1-4alkyloxy, hydroxycarbonyleC1-4alkyloxycarbonylamino, C1-4alkylaminocarbonyle, C1-4alkylaminocarbonylamino, C1-4alkylaminothiocarbonylamino, aryle, aryloxy et arylcarbonyle; C1-6alkyle substitué avec hydroxy et aryloxy; C3-6alcényle; C3-6alcényle substitué avec aryle; ou bien, L représente un radical de la formule -Alk-Y-Het1 (a-1), -Alk-NH-CO-Het2 (a-2) ou -Alk-Het3 (a-3); à condition que 6,11-dihydro-11-(4-pipéridinylidène)-5-$i(H)-imidazo[2,1-b][3]benzazépine soit exclu; ils sont utilisés comme composés antiallergiques. Compositions contenant lesdits composés, méthodes d'utilisation et procédés pour leur préparation.

  本发明涉及一种新型的Imidazo[2,1-b][3]benzazepines化合物，其化学式为（I），包括其药学上可接受的加合物盐和立体化学异构体，其中每个虚线独立地表示一个可选键；R1代表氢、卤素、C1-4烷基或C1-4烷氧基；R2代表氢、卤素、C1-4烷基或C1-4烷氧基；R3代表氢、C1-4烷基、烯丙基取代的羟基羧酰基或C1-4烷氧羰基、C1-4烷基取代的羟基羧酰基或C1-4烷氧羰基、羟基C1-4烷基、甲酰基或羟基羧酰基；R4代表氢、C1-4烷基、羟基C1-4烷基、苯基或卤素；R5代表氢、C1-4烷基或卤素；L代表氢；C1-6烷基；C1-6烷基取代一个选自羟基、卤素、C1-4烷氧基、羟基羧酰基、C1-4烷氧羰基、C1-4烷氧羰基-C1-4烷氧基、羟基羧酰基C1-4烷氧基、C1-4烷氧羰基氨基、C1-4烷基氨基羰基、C1-4烷基氨基羰基氨基、C1-4烷基氨基硫代羰基氨基、芳基、芳氧基和芳基羧酰基的取代基；C1-6烷基取代羟基和芳氧基；C3-6烯基；C3-6烯基取代芳基；或L代表公式-Alk-Y-Het1（a-1）、-Alk-NH-CO-Het2（a-2）或-Alk-Het3（a-3）的基团；但不包括6,11-二氢-11-(4-哌啶基亚胺)-5$i(H)-imidazo[2,1-b][3]benzazepine，其作为抗过敏化合物。本发明还涉及包括该化合物的组合物、使用方法以及制备该化合物的方法。
• Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0518435A1

  公开（公告）日：1992-12-16

  The present invention is concerned with novel imidazo[2,1-b][3]benzazepines of formula the pharmaceutically acceptable addition salts and stereochemically isomeric forms thereof, wherein each of the dotted lines independently represents an optional bond; R¹ represents hydrogen, halo, C₁₋₄alkyl or C₁₋₄alkyloxy; R² represents hydrogen, halo, C₁₋₄alkyl or C₁₋₄alkyloxy; R³ represents hydrogen, C₁₋₄alkyl, ethenyl substituted with hydroxycarbonyl or C₁₋₄alkyloxycarbonyl, C₁₋₄alkyl substituted with hydroxycarbonyl or C₁₋₄alkyloxycarbonyl, hydroxyC₁₋₄alkyl, formyl or hydroxycarbonyl; R⁴ represents hydrogen, C₁₋₄alkyl, hydroxyC₁₋₄alkyl, phenyl or halo; R⁵ represents hydrogen, C₁₋₄alkyl or halo; L represents hydrogen; C₁₋₆alkyl; C₁₋₆alkyl substituted with one substituent selected from the group consisting of hydroxy, halo, C₁₋₄alkyloxy, hydroxycarbonyl, C₁₋₄alkyloxycarbonyl, C₁₋₄alkyloxycarbonyl-C₁₋₄alkyloxy, hydroxycarbonylC₁₋₄alkyloxy, C₁₋₄alkyloxycarbonylamino, C₁₋₄alkylaminocarbonyl, C₁₋₄alkylaminocarbonylamino, C₁₋₄alkylaminothiocarbonylamino, aryl, aryloxy and arylcarbonyl; C₁₋₆alkyl substituted with both hydroxy and aryloxy; C₃₋₆alkenyl; C₃₋₆alkenyl substituted with aryl; or, L represents a radical of formula -Alk-Y-Het¹ (a-1), -Alk-NH-CO-Het² (a-2) or -Alk-Het³ (a-3); provided that 6,11-dihydro-11-(4-piperidinylidene)-5H-imidazo[2,1-b][3]benzazepine is ecxluded, which are useful antiallergic compounds. Compositions comprising said compounds, methods of using and processes for preparing the same.

  本发明涉及一种新型的imidazo[2,1-b][3]benzazepines化合物，其分子式为药学上可接受的加盐和立体异构体形式，其中每个虚线独立表示可选键；R¹表示氢、卤素、C₁₋₄烷基或C₁₋₄烷氧基；R²表示氢、卤素、C₁₋₄烷基或C₁₋₄烷氧基；R³表示氢、C₁₋₄烷基、烯丙基取代羟基羧酰基或C₁₋₄烷氧羰基、C₁₋₄烷基取代羟基羧酰基或C₁₋₄烷氧羰基、羟基C₁₋₄烷基、甲酰基或羟基羧酰基；R⁴表示氢、C₁₋₄烷基、羟基C₁₋₄烷基、苯基或卤素；R⁵表示氢、C₁₋₄烷基或卤素；L表示氢、C₁₋₆烷基、取代一个取代基的C₁₋₆烷基，所述取代基选自羟基、卤素、C₁₋₄烷氧基、羟基羧酰基、C₁₋₄烷氧羰基、C₁₋₄烷氧羰基-C₁₋₄烷氧基、羟基羧酰基C₁₋₄烷氧基、C₁₋₄烷氧羰基氨基、C₁₋₄烷氨基羰基、C₁₋₄烷氨基羰基氨基、C₁₋₄烷氨基硫代羰基氨基、芳基、芳氧基和芳基羧酰基；取代羟基和芳氧基的C₁₋₆烷基；C₃₋₆烯基；取代芳基的C₃₋₆烯基；或L表示式-Alk-Y-Het¹(a-1)、-Alk-NH-CO-Het²(a-2)或-Alk-Het³(a-3)的基团；但不包括6,11-二氢-11-(4-哌啶亚甲基)-5H-imidazo[2,1-b][3]benzazepine，它们是有用的抗过敏化合物。本发明还涉及包含上述化合物的组合物、使用方法和制备方法。
• Ophthalmic compositions containing alcaftadine
  申请人：Vistakon Pharmaceuticals, LLC

  公开号：US10617695B2

  公开（公告）日：2020-04-14

  Compositions, kits and methods for the treatment or prevention of ocular allergies and inflammation and the symptoms thereof containing alcaftadine or a pharmaceutically acceptable salt thereof.

  用于治疗或预防眼部过敏和炎症及其症状的含有阿扎他定或其药学上可接受的盐的组合物、试剂盒和方法。
• IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0588858B1

  公开（公告）日：2003-09-17
• OCULAR ALLERGY TREATMENTS
  申请人：Vistakon Pharmaceuticals, LLC

  公开号：EP2004196A2

  公开（公告）日：2008-12-24