(1R,2R,3R,5R,6R)2-allyloxycarbonylamino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 2-butyl ester 6-ethyl ester | 820244-82-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1R,2R,3R,5R,6R)2-allyloxycarbonylamino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 2-butyl ester 6-ethyl ester
• 英文别名: 2-O-butyl 6-O-ethyl (1R,2R,3R,5R,6R)-3-[(3,4-dichlorophenyl)methoxy]-6-fluoro-2-(prop-2-enoxycarbonylamino)bicyclo[3.1.0]hexane-2,6-dicarboxylate
• CAS: 820244-82-4
• 化学式: C₂₅H₃₀Cl₂FNO₇
• 分子量: 546.42
• InChiKey: GTZYORQKFOGSEC-KXHHXGFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (1R,2R,3R,5R,6R)2-allyloxycarbonylamino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 2-butyl ester 6-ethyl ester 在 四(三苯基膦)钯 1,3-二甲基巴比妥酸 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 (1R,2R,3R,5R,6R)2-amino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 2-butyl ester 6-ethyl ester
  参考文献：
  名称：

  2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE

  摘要：

  公开号：

  EP1637517B1
• 作为产物：
  描述：

  、 氯甲酸烯丙酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 (1R,2R,3R,5R,6R)2-allyloxycarbonylamino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 2-butyl ester 6-ethyl ester
  参考文献：
  名称：

  2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE

  摘要：

  公开号：

  EP1637517B1

文献信息

• 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative
  申请人：Yasuhara Akito

  公开号：US20070021394A1

  公开（公告）日：2007-01-25

  A drug effective for the treatment and prevention of psychiatric disorders such as schizophrenia, anxiety and related ailments thereof, depression, bipolar disorder and epilepsy. The drug antagonizes the action of group II metabotropic glutamate receptors and shows high activity in oral administraiton A 2-amino-bicyclo[3.1.0] hexane-2,6-dicarboxylic ester derivative represented by formula [I] [wherein R 1 and R 2 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; X represents a hydrogen atom or a fluorine atom; Y represents —OCHR 3 R 4 or the like (wherein R 3 and R 4 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; and n represents integer 1 or 2)], a pharmaceutically acceptable salt thereof or a hydrate thereof.

  一种药物，可用于治疗和预防精神障碍，如精神分裂症、焦虑症及相关疾病、抑郁症、双相情感障碍和癫痫等。该药物拮抗II类代谢型谷氨酸受体的作用，并在口服给药中表现出高活性。该药物是2-氨基双环[3.1.0]己烷-2,6-二羧酸酯衍生物，化学式为[I]（其中R1和R2相同或不同，分别表示氢原子，C1-10烷基或类似物；X表示氢原子或氟原子；Y表示—OCHR3R4或类似物（其中R3和R4相同或不同，分别表示氢原子，C1-10烷基或类似物；n表示整数1或2），其药学上可接受的盐或水合物。
• 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative
  申请人：YASUHARA Akito

  公开号：US20090306408A1

  公开（公告）日：2009-12-10

  A drug effective for the treatment and prevention of psychiatric disorders such as schizophrenia, anxiety and related ailments thereof, depression, bipolar disorder and epilepsy. The drug antagonizes the action of group II metabotropic glutamate receptors and shows high activity in oral administration A 2-amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative represented by formula [I] [wherein R 1 and R 2 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; X represents a hydrogen atom or a fluorine atom; Y represents —OCHR 3 R 4 or the like (wherein R 3 and R 4 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; and n represents integer 1 or 2)], a pharmaceutically acceptable salt thereof or a hydrate thereof.

  一种药物，对治疗和预防精神障碍如精神分裂症、焦虑和相关疾病、抑郁症、躁郁症和癫痫有效。该药物拮抗II类代谢型谷氨酸受体的作用，在口服给药时显示出高活性。该药物为2-氨基-双环[3.1.0]己烷-2,6-二羧酸酯衍生物，化学式为[I]（其中R1和R2相同或不同，分别表示氢原子、C1-10烷基或类似物；X表示氢原子或氟原子；Y表示—OCHR3R4或类似物（其中R3和R4相同或不同，分别表示氢原子、C1-10烷基或类似物；n表示整数1或2），其药物可接受的盐或水合物。
• 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE
  申请人：YASUHARA Akito

  公开号：US20120004232A1

  公开（公告）日：2012-01-05

  A drug effective for the treatment and prevention of psychiatric disorders such as schizophrenia, anxiety and related ailments thereof, depression, bipolar disorder and epilepsy. The drug antagonizes the action of group II metabotropic glutamate receptors and shows high activity in oral administration A 2-amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative represented by formula [I] [wherein R1 and R2 are identical or different, and each represents a hydrogen atom, a C1-10alkyl group or the like; X represents a hydrogen atom or a fluorine atom; Y represents —OCHR3R4 or the like (wherein R3 and R4 are identical or different, and each represents a hydrogen atom, a C1-10alkyl group or the like; and n represents integer 1 or 2)], a pharmaceutically acceptable salt thereof or a hydrate thereof.

  一种药物，有效治疗和预防精神障碍，如精神分裂症，焦虑和相关疾病，抑郁症，双相障碍和癫痫。该药物拮抗II类代谢型谷氨酸受体的作用，在口服给药中显示高活性。该药物是2-氨基-双环[3.1.0]己烷-2,6-二羧酸酯衍生物，由式[I]表示[其中R1和R2相同或不同，每个代表氢原子，C1-10烷基或类似物; X代表氢原子或氟原子; Y代表—OCHR3R4或类似物（其中R3和R4相同或不同，每个代表氢原子，C1-10烷基或类似物; n表示整数1或2）]，其药学上可接受的盐或水合物。
• 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE
  申请人：YASUHARA Akito

  公开号：US20120028982A1

  公开（公告）日：2012-02-02

  A drug effective for the treatment and prevention of psychiatric disorders such as schizophrenia, anxiety and related ailments thereof, depression, bipolar disorder and epilepsy. The drug antagonizes the action of group II metabotropic glutamate receptors and shows high activity in oral administration. A 2-amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative represented by formula [I] [wherein R 1 and R 2 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; X represents a hydrogen atom or a fluorine atom; Y represents —OCHR 3 R 4 or the like (wherein R 3 and R 4 are identical or different, and each represents a hydrogen atom, a C 1-10 alkyl group or the like; and n represents integer 1 or 2)], a pharmaceutically acceptable salt thereof or a hydrate thereof.

  一种用于治疗和预防精神障碍，如精神分裂症、焦虑和相关疾病、抑郁症、双相情感障碍和癫痫的药物。该药物拮抗II类代谢型谷氨酸受体的作用，在口服时显示出高活性。一种由公式[I]表示的2-氨基-双环[3.1.0]己烷-2,6-二羧酸酯衍生物[其中R1和R2相同或不同，每个表示氢原子，C1-10烷基或类似物；X表示氢原子或氟原子；Y表示-OCHR3R4或类似物（其中R3和R4相同或不同，每个表示氢原子，C1-10烷基或类似物；n表示整数1或2）]，其药学上可接受的盐或水合物。
• 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative
  申请人：Taisho Pharmaceutical Co. Ltd.

  公开号：EP2123630A1

  公开（公告）日：2009-11-25

  A drug effective for the treatment and prevention of psychiatric disorders such as schizophrenia, anxiety and related ailments thereof, depression, bipolar disorder and epilepsy. The drug antagonizes the action of group II metabotropic glutamate receptors and shows high activity in oral administraiton A 2-amino-bicyclo [3.1.0] hexane-2,6-dicarboxylic ester derivative represented by formula [I] [wherein R1 and R2 are identical or different, and each represents a hydrogen atom, a C1-10alkyl group substituted by one or two aryl groups or other meanings as specified in the claims; X represents a fluorine atom; Y represents -OCHR3R4 (wherein R3 and R4 are identical or different, and each represents a hydrogen atom or a phenyl group substituted by one to five halogen atoms, a pharmaceutically acceptable salt thereof or a hydrate thereof.

  一种有效治疗和预防精神疾病的药物，如精神分裂症、焦虑症及其相关疾病、抑郁症、双相情感障碍和癫痫。该药物可拮抗 II 组代谢型谷氨酸受体的作用，口服活性高。 由式[I]代表的 2-氨基-双环[3.1.0]己烷-2,6-二甲酸酯衍生物 [其中R1和R2相同或不同，各自代表氢原子、被一个或两个芳基取代的C1-10烷基或权利要求中规定的其他含义；X代表氟原子；Y代表-OCHR3R4（其中R3和R4相同或不同，各自代表氢原子或被一至五个卤素原子取代的苯基）、其药学上可接受的盐或其水合物。