N-(3-methoxy-4-(pyridin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide | 1161757-41-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(3-methoxy-4-(pyridin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
• 英文别名: N-(3-methoxy-4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• CAS: 1161757-41-0
• 化学式: C₂₁H₁₈N₂O₄
• 分子量: 362.385
• InChiKey: ZMSMVFXNPVHMFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(2-methoxy-4-nitrophenyl)pyridine 在 palladium 10% on activated carbon 、 氢气 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 N-(3-methoxy-4-(pyridin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
  参考文献：
  名称：

  [EN] N-(4-(OXAZOL-5-YL)PHENYL)CHROMANE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS STIMULATORS OF THE PRODUCTION OF RETINAL PRECURSOR CELLS FOR THE TREATMENT OF NEURORETINAL DISEASES
  [FR] DÉRIVÉS DE N-(4-(OXAZOL-5-YL) PHÉNYL)CHROMANE-3-CARBOXAMIDE ET COMPOSÉS APPARENTÉS EN TANT QUE STIMULATEURS DE LA PRODUCTION DE CELLULES PRÉCURSEURS RÉTINIENNES POUR LE TRAITEMENT DE MALADIES NEURORÉTINIENNES

  摘要：

  新化合物及治疗导致光感受器丧失或外视网膜退化的视网膜疾病的方法，包括给予式(I)的化合物或其药学上可接受的盐、消旋混合物、相应对映体或如适用的话，相应的二对映体，其中：A选自由5-噁唑基、吡啶-4-基、三唑基、噁二唑基、咪唑基和2-甲氧基噁唑-5-基残基的群组，R1和R12独立选自氢、氟、氯、甲氧基、三氟甲基、甲基和二氟甲氧基的群组，B选自式(II)、(III)、(IV)、(V)、(VI)、(VII)、(VIII)和(IX)的残基的群组，其中，II*II表示与分子其余部分的连接点，R2、R3、R4、R5、R2 I、R3 I、R4 I、R5 I、R2 II、R3 II、R4 II、R5 II、R2 III、R3 III、R4 III、R5 III、R2 IV、R3 IV、R4 IV、R5 IV、R2 V、R3 V、R4 V、R5 V、R2 VI、R3 VI、R4 VI、R5 VI、R2 VII、R3 VII、R4 VII、R5 VII独立选自氢、具有1至3个碳原子的直链或支链烷基、氟、氯、溴、甲氧基、乙氧基、丙氧基、2,2,2-三氟甲基和二氟甲氧基的群组。

  公开号：

  WO2020140050A1

文献信息

• BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS
  申请人：Feng Yangbo

  公开号：US20110150833A1

  公开（公告）日：2011-06-23

  Compounds useful as Rho kinase inhibitors of formula (1) wherein the variables are as defined herein are provided. Methods of treatment of malconditions mediated by Rho kinase, and methods of preparation of the compounds, are also provided.

  提供了一些公式（1）中变量的Rho激酶抑制剂，这些化合物可用于治疗由Rho激酶介导的疾病。还提供了制备这些化合物的方法和治疗Rho激酶介导的疾病的方法。
• Compounds for use as therapeutically active substances in the treatment of retinal diseases
  申请人：ENDOGENA THERAPEUTICS, INC.

  公开号：US10807973B2

  公开（公告）日：2020-10-20

  New compounds and a method of treating a retinal disease that leads to photoreceptor loss or outer-retina degeneration, including administering compound of the formula (I) or a pharmaceutically acceptable salt, a racemic mixture, a corresponding enantiomer or, if applicable, a corresponding diastereomer thereof, wherein: A is a 5-oxazolyl residue or a pyridine-4-yl residue, R1 is selected from the group consisting of fluoro, chloro and methoxy; B is selected from the group consisting of a residue of formula (II), (III) and (IV) wherein, “*” denotes the point of attachment to the remainder of the molecule, and R2, R2′, R2″, R3, R3′, R3″, R4, R4′, R4″, R5, R5′ and R5″ are independently selected from the group consisting of hydrogen, a linear or branched alkyl having 1 to 4 carbon atoms, trifluoromethyl, 2,2,2-trifluoroethyl, methylsulfanyl, ethylsulfanyl, methylsulfonyl, ethylsulfonyl, difluoromethoxy, trifluoromethoxy, fluoro, bromo, chloro, methoxy, ethoxy, propoxy, butoxy, hydroxy and amino.

  治疗导致光感受器缺失或视网膜外层变性的视网膜疾病的新化合物和方法，包括施用式（I）化合物 或其药学上可接受的盐、外消旋混合物、相应的对映体或（如适用）相应的非对映异构体，其中：A 是 5-恶唑基残基或吡啶-4-基残基，R1 选自氟、氯和甲氧基组成的组； B 选自式（II）、（III）和（IV）残基组成的组 其中，"*"表示与分子其余部分的连接点，R2、R2′、R2″、R3、R3′、R3″、R4、R4′、R4″、R5、R5′和R5″独立地选自氢组成的组、具有 1 至 4 个碳原子的直链或支链烷基、三氟甲基、2,2,2-三氟乙基、甲硫基、乙硫基、甲磺酰基、乙磺酰基、二氟甲氧基、三氟甲氧基、氟、溴、氯、甲氧基、乙氧基、丙氧基、丁氧基、羟基和氨基。
• COMPOUNDS FOR USE AS THERAPEUTICALLY ACTIVE SUBSTANCES IN THE TREATMENT OF RETINAL DISEASES
  申请人：ENDOGENA THERAPEUTICS, INC.

  公开号：US20200207749A1

  公开（公告）日：2020-07-02

  New compounds and a method of treating a retinal disease that leads to photoreceptor loss or outer-retina degeneration, including administering compound of the formula (I) or a pharmaceutically acceptable salt, a racemic mixture, a corresponding enantiomer or, if applicable, a corresponding diastereomer thereof, wherein: A is a 5-oxazolyl residue or a pyridine-4-yl residue, R 1 is selected from the group consisting of fluoro, chloro and methoxy; B is selected from the group consisting of a residue of formula (II), (III) and (IV) wherein, “*” denotes the point of attachment to the remainder of the molecule, and R 2 , R 2 ′, R 2 ″, R 3 , R 3 ′, R 3 ″, R 4 , R 4 ′, R 4 ″, R 5 , R 5 ′ and R 5 ″ are independently selected from the group consisting of hydrogen, a linear or branched alkyl having 1 to 4 carbon atoms, trifluoromethyl, 2,2,2-trifluoroethyl, methylsulfanyl, ethylsulfanyl, methylsulfonyl, ethylsulfonyl, difluoromethoxy, trifluoromethoxy, fluoro, bromo, chloro, methoxy, ethoxy, propoxy, butoxy, hydroxy and amino.
• N-(4-(OXAZOL-5-YL)PHENYL) CHROMANE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS STIMULATORS OF THE PRODUCTION OF RETINAL PRECURSOR CELLS FOR THE TREATMENT OF NEURORETINAL DISEASES
  申请人：ENDOGENA THERAPEUTICS, INC.

  公开号：US20220089583A1

  公开（公告）日：2022-03-24

  Compounds and a method of treating a retinal disease that leads to photoreceptor loss or outer-retina degeneration, including administering compound of the formula (I) or a pharmaceutically acceptable salt, a racemic mixture, a corresponding enantiomer or, if applicable, a corresponding diastereomer thereof, wherein: A is selected from 5-oxazolyl, pyridine-4-yl, triazolyl, oxadiazolyl, imidazolyl and 2-methyloxazol-5-yl residue, R 1 , and R 12 are independently selected from hydrogen, fluoro, chloro, methoxy, trifluoromethyl, methyl and difluoromethoxy, B is selected from a residue of formulae (II)-(IX) wherein, “*” denotes the point of attachment to the remainder of the molecule, and R 2 , R 3 , R 4 , R 5 , R 2 I , R 3 I , R 4 I , R 5 I , R 2 II , R 3 II , R 4 II , R 5 II , R 2 III , R 3 III , R 4 III , R 5 III , R 2 IV , R 3 IV , R 4 IV , R 5 IV , R 2 V , R 3 V , R 4 V , R 5 V , R 2 VI , R 3 VI , R 4 VI , R 5 VI , R 2 VII , R 3 VII , R 4 VII , and R 5 VII are independently selected from hydrogen, linear or branched alkyl having 1-3 carbon atoms, fluoro, chloro, bromo, methoxy, ethoxy, propoxy, 2,2,2-trifluoromethyl and difluoromethoxy.
• [EN] BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS<br/>[FR] BENZOPYRANES ET ANALOGUES UTILISÉS COMME INHIBITEURS DE LA RHO KINASE
  申请人：FENG YANGBO

  公开号：WO2009079008A1

  公开（公告）日：2009-06-25

  Compounds useful as Rho kinase inhibitors of formula (I) wherein the variables are as defined herein are provided. Methods of treatment of malconditions mediated by Rho kinase, and methods of preparation of the compounds, are also provided.