trans-3'-oxo-N-[5-oxo-1-(2-fluorophenyl)-3-pyrrolidinyl]spiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide | 1025888-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: trans-3'-oxo-N-[5-oxo-1-(2-fluorophenyl)-3-pyrrolidinyl]spiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide
• 英文别名: N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
• CAS: 1025888-05-4
• 化学式: C₂₄H₂₃FN₂O₄
• 分子量: 422.456
• InChiKey: ACENRXVXKXXDFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Spiro compounds
  申请人：——

  公开号：US20040259890A1

  公开（公告）日：2004-12-23

  Compounds of the formula (I): 1 (wherein A is an optionally substituted straight-chain hydrocarbon having 1 to 6 carbon atoms, which is optionally intervened by oxygen or nitrogen atom; Ar 1 is aryl or heteroaryl, any of which is optionally substituted; n is 0 or 1; R 0 is hydrogen, or lower alkylene attached to an arbitrary, bondable position of A; T, U, V and W are independently nitrogen atom or optionally substituted methine, and at least two of T, U, V and W are said methine group; X is —N(SO 2 R 1 )—, —N(COR 2 )— or —CO—; Y is —C(R 3 )(R 4 )—, —O— or —N(R 5 )—; Z is methine or nitrogen atom) exhibit NPY antagonistic activities and are useful as agents for the treatment of various diseases related to NPY, for example, cardiovascular disorders such as hypertension, nephropathy, heart disease, vasospasm, arteriosclerosis, etc., central nervous system disorders such as bulimia, depression, anxiety, seizure, epilepsy, dementia, pain, alcoholism, drug withdrawal, circadian rhythm disorders, schizophrenia, etc., metabolic diseases such as obesity, diabetes, hormone abnormality, hypercholesterolemia, hyperlipidemia, etc., sexual and reproductive dysfunctions, and gastro-intestinal motility disorder.

  化合物的结构式为(I):1（其中A是具有1到6个碳原子的直链烃基，可以是选用的取代基，也可以由氧或氮原子插入；Ar1是芳基或杂环芳基，任何一种都可以是选用的取代基；n为0或1；R0为氢或连接到A的任意可结合位置的低碳烷基；T、U、V和W分别是氮原子或选用的甲烷基，其中至少两个是甲烷基；X为—N(SO2R1)—、—N(COR2)—或—CO—；Y为—C(R3)(R4)—、—O—或—N(R5)—；Z为甲烷基或氮原子），具有NPY拮抗活性，并可用作治疗与NPY相关的各种疾病的药物，例如心血管疾病如高血压、肾病、心脏病、血管痉挛、动脉硬化等，中枢神经系统疾病如贪食症、抑郁症、焦虑症、癫痫、痴呆、疼痛、酗酒、戒毒、昼夜节律紊乱、精神分裂症等，代谢疾病如肥胖症、糖尿病、激素异常、高胆固醇血症、高脂血症等，性和生殖功能障碍以及胃肠动力障碍。
• SPIRO COMPOUNDS
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1415986A1

  公开（公告）日：2004-05-06

  Compounds of the formula (I): (wherein A is an optionally substituted straight-chain hydrocarbon having 1 to 6 carbon atoms, which is optionally intervened by oxygen or nitrogen atom; Ar1 is aryl or heteroaryl, any of which is optionally substituted; n is 0 or 1; R0 is hydrogen, or lower alkylene attached to an arbitrary, bondable position of A; T, U, V and W are independently nitrogen atom or optionally substituted methine, and at least two of T, U, V and W are said methine group; X is -N(SO2R1)-, -N(COR2)- or -CO-; Y is -C(R3)(R4)-, -O- or -N(R5)-; Z is methine or nitrogen atom) exhibit NPY antagonistic activities and are useful as agents for the treatment of various diseases related to NPY, for example, cardiovascular disorders such as hypertension, nephropathy, heart disease, vasospasm, arteriosclerosis, etc., central nervous system disorders such as bulimia, depression, anxiety, seizure, epilepsy, dementia, pain, alcoholism, drug withdrawal, circadian rhythm disorders, schizophrenia, etc., metabolic diseases such as obesity, diabetes, hormone abnormality, hypercholesterolemia, hyperlipidemia, etc., sexual and reproductive dysfunctions, and gastro-intestinal motility disorder.

  式 (I) 的化合物： 其中 A 是具有 1 至 6 个碳原子的任选取代的直链烃，其间任选有氧原子或氮原子； Ar1 是芳基或杂芳基，其中任一芳基被任选取代； n 为 0 或 1； R0 是氢，或连接到 A 的任意可键合位置的低级亚烷基； T、U、V 和 W 独立地为氮原子或任选取代的亚甲基，且 T、U、V 和 W 中至少有两个为所述亚甲基； X 是-N(SO2R1)-、-N(COR2)-或-CO-； Y 是-C(R3)(R4)-、-O-或-N(R5)-； Z 是甲烷或氮原子）具有 NPY 拮抗活性，可用作治疗与 NPY 有关的各种疾病的药物，例如高血压、肾病、心脏病、血管痉挛、动脉硬化等心血管疾病、中枢神经系统疾病，如暴食症、抑郁症、焦虑症、癫痫发作、癫痫、痴呆症、疼痛、酒精中毒、药物戒断、昼夜节律紊乱、精神分裂症等；代谢性疾病，如肥胖症、糖尿病、激素异常、高胆固醇血症、高脂血症等；性功能和生殖功能障碍；以及胃肠道运动障碍。
• SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：EP1415986B1

  公开（公告）日：2009-04-08
• US7205417B2
  申请人：——

  公开号：US7205417B2

  公开（公告）日：2007-04-17