6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid | 1528456-18-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid
• 英文别名: 6,8-difluoro-3,4-dihydro-2H-chromene-3-carboxylic acid
• CAS: 1528456-18-9
• 化学式: C₁₀H₈F₂O₃
• 分子量: 214.169
• InChiKey: ARCSVLRWXYYGNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid 以8.6%的产率得到2-(6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-6-(1,3-oxazol-5-yl)-1H-1,3-benzodiazole
  参考文献：
  名称：

  NEW COMPOUNDS AND THEIR USE AS THERAPEUTICALLY ACTIVE SUBSTANCES IN THE TREATMENT AND/OR PREVENTION OF DISEASES INVOLVING THE RETINAL PIGMENT EPITHELIUM

  摘要：

  一种治疗和/或预防疾病的方法，其中包括给予式（I）化合物或药学上可接受的盐、外消旋体混合物、对映体或相应的对映异构体的视网膜色素上皮，其中：X为NH或O，R11、R12和R13独立地选择自氢原子、氟、氯、三氟甲基、甲基和二氟甲氧基的群；A从由式（II）-（VII）或（VIII）的残基群中选择；“*”表示附加到分子残基的点，而R2、R3、R4、R5、R2I、R3I、R4I、R5I、R2II、R3II、R4II、R5II、R2III、R3III、R4III、R5III、R2IV、R3IV、R4IV、R5IV、R2V、R3V、R4V、R5V、R2VI、R3VI、R4VI和R5VI独立地选择自氢原子、线性或支链烷基，其中碳原子数为1-3，氟、氯、溴、甲氧基、乙氧基、丙氧基、三氟甲基、2,2,2-三氟乙基和二氟甲氧基，而R6从氢原子、线性或支链烷基，其中碳原子数为1-3，三氟甲基和2,2,2-三氟乙基中选择。

  公开号：

  US20220110921A1

文献信息

• [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<br/>[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
  申请人：ENDOGENA THERAPEUTICS INC

  公开号：WO2020140050A1

  公开（公告）日：2020-07-02

  New compounds and to a method of treating a retinal disease that leads to photoreceptor loss or outer-retina degeneration, comprising 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 is selected from the group consisting of a 5-oxazolyl, a pyridine-4-yl, a triazolyl, a oxadiazolyl, a imidazolyl and a 2-methyloxazol-5-yl residue, R1, and R12 are independently selected from the group consisting of hydrogen, fluoro, chloro, methoxy, trifluoromethyl, methyl and difluoromethoxy, B is selected from the group consisting of a residue of formula (II), (III), (IV), (V), (VI), (VII), (VIII) and (IX) wherein, II*II denotes the point of attachment to the remainder of the molecule, and 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, are independently selected from the group consisting of hydrogen, a linear or branched alkyl having 1 to 3 carbon atoms, fluoro, chloro, bromo, methoxy, ethoxy, propoxy, 2,2,2-trifluoromethyl and difluoromethoxy.

  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。
• [EN] NEW COMPOUNDS AND THEIR USE AS THERAPEUTICALLY ACTIVE SUBSTANCES IN THE TREATMENT AND/OR PREVENTION OF DISEASES INVOLVING THE RETINAL PIGMENT EPITHELIUM<br/>[FR] NOUVEAUX COMPOSÉS ET LEUR UTILISATION EN TANT QUE SUBSTANCES THÉRAPEUTIQUEMENT ACTIVES DANS LE TRAITEMENT ET/OU LA PRÉVENTION DE MALADIES IMPLIQUANT L'ÉPITHÉLIUM PIGMENTAIRE RÉTINIEN
  申请人：ENDOGENA THERAPEUTICS INC

  公开号：WO2021257092A1

  公开（公告）日：2021-12-23

  The present invention relates to new compounds and to their use as therapeutically active substances in the treatment and/or prevention of diseases involving the retinal pigment epithelium, and in particular in the treatment and/or prevention of diseases leading to atrophy, degeneration or death of the retinal pigment epithelium that might also result in atrophy or loss of photoreceptors and/or retinal neovascularization.

  本发明涉及新化合物及其作为治疗活性物质在涉及视网膜色素上皮的疾病的治疗和/或预防中的用途，特别是在涉及导致视网膜色素上皮发生萎缩、退化或死亡的疾病的治疗和/或预防中，这些疾病可能还会导致视网膜色素上皮的萎缩或光感受器的丧失和/或视网膜新生血管生成的治疗和/或预防。
• 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：EP3902798A1

  公开（公告）日：2021-11-03
• 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.