(1R,2R,3R,5R,6R)-2-amino-3-(3,4-dichlorobenzoyloxy)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | 820244-76-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1R,2R,3R,5R,6R)-2-amino-3-(3,4-dichlorobenzoyloxy)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
• 英文别名: (1R,2R,3R,5R,6R)-2-amino-3-(3,4-dichlorobenzoyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid；(1R,2R,3R,5R,6R)-2-amino-3-(3,4-dichlorobenzoyl)oxy-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
• CAS: 820244-76-6
• 化学式: C₁₅H₁₂Cl₂FNO₆
• 分子量: 392.168
• InChiKey: WBFGYBIAPMYKEU-TYCLUUFOSA-N

物化性质

• 沸点：
  555.0±50.0 °C(Predicted)
• 密度：
  1.74±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  127
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (1R,2R,3R,5R,6R)-2-amino-3-(3,4-dichlorobenzoyloxy)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid 、 戊醇 在 氯化亚砜 作用下， 反应 3.0h， 生成 MGS0155
  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：

  在 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 生成 (1R,2R,3R,5R,6R)-2-amino-3-(3,4-dichlorobenzoyloxy)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  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 acid derivative
  申请人：Yasuhara Akito

  公开号：US20060142388A1

  公开（公告）日：2006-06-29

  One object of the present invention is to provide a drug that is effective in treatments for and prevention of psychiatric disorders and in treatments for and prevention of neurological diseases, inhibiting a Group II metabotropic glutamate receptor. The object is solved by a 2-amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative represented by formula [I]: (wherein R 1 and R 2 are the same or different, and each represents a hydrogen atom, C 1-10 alkyl group, etc; X represents a hydrogen atom or a fluorine atom; and Y represents an amino group, —SR 3 , —S(O) n R 7 , —SCHR 3 R 4 , —S(O) n CHR 3 R 4 , —NHCHR 3 R 4 , —N(CHR 3 R 4 )(CHR 5 R 6 ), —NHCOR 3 or —OCOR 7 ), a pharmaceutically acceptable salt thereof, or a hydrate thereof and so on.

  本发明的一个目的是提供一种对精神障碍的治疗和预防以及神经疾病的治疗和预防有效的药物，抑制II类代谢型谷氨酸受体。该目的通过由式[I]所表示的2-氨基双环[3.1.0]己烷-2,6-二羧酸衍生物解决：（其中R1和R2相同或不同，每个代表氢原子，C1-10烷基等；X代表氢原子或氟原子；Y代表氨基，—SR3，—S(O)nR7，—SCHR3R4，—S(O)nCHR3R4，—NHCHR3R4，—N(CHR3R4)(CHR5R6)，—NHCOR3或—OCOR7），其药学上可接受的盐或其水合物等等。
• 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。