8-benzyl-2,5-dimethyl-5,6,7,8-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-c]pyridine | 1378932-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烯杂卓类
• 英文名称: 8-benzyl-2,5-dimethyl-5,6,7,8-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-c]pyridine
• 英文别名: 7-benzyl-4,11-dimethyl-5-thia-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene
• CAS: 1378932-18-3
• 化学式: C₁₈H₂₀N₂S
• mdl: MFCD32681067
• 分子量: 296.436
• InChiKey: HUXWBDHAKRMJBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  36.4
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• SUBSTITUTED HYDROGENATED THIENO-PYRROLO[3,2-C]PYRIDINE, LIGANDS, A PHARMACEUTICAL COMPOSITION AND A METHOD FOR USING THE ABOVE
  申请人：Ivachtchenko Alexandre Vasilievich

  公开号：US20130267551A1

  公开（公告）日：2013-10-10

  The present invention relates to novel substituted tetrahydro-4H-thieno-pyrrolo[3,2-c]pyridines of the general formula 1, geometrical isomers, mixtures of geometrical isomers, and pharmaceutically acceptable salts thereof, wherein Th represents annelated thienic cycle; W represents ordinary bond (in this case R3 is bound directly to N-atom of pyrrole cycle), methylene, 1,2-ethylene, 1,2-vinyl, 1,2-ethynylene, 1,3-propanediyl or 1,3-propenylene, optionally substituted with hydroxy group; R1 and R2 represent hydrogen, C 1 -C 4 alkyl, halogen or —CH 2 OH; R3 represents hydrogen, optionally substituted phenyl, optionally substituted azaheteroaryl; R4 represents C 1 -C 4 alkyl, CO 2 C 2 H 5 or CO 2 C(CH 3 ) 3 ; R5, R6, R7 independently of each other represent hydrogen or C 1 -C 4 alkyl, or R5 and R6 form together ethylene bridge, and R7 represents hydrogen, or R5 and R7 form together ethylene bridge, and R6 represents hydrogen. And also to synthesis of novel chemical compounds, novel physiologically active compounds, “molecular tools”, to pharmaceutical composition, methods for preparation thereof and to method of treatment and prophylaxis of various diseases including diseases of central nervous system (CNS).

  本发明涉及一种新型的取代四氢-4H-噻吩-吡咯并[3,2-c]吡啶的化合物，其通用式为1，包括几何异构体、几何异构体混合物和其药学上可接受的盐，其中Th代表附环的噻吩环；W代表普通键（在这种情况下，R3直接与吡咯环的N原子结合），亚甲基，1,2-乙烯基，1,2-乙烯基，1,2-乙炔基，1,3-丙二基或1,3-丙烯基，可选地取代羟基；R1和R2代表氢，C1-C4烷基，卤素或-CH2OH；R3代表氢，可选地取代苯基，可选地取代氮杂杂环；R4代表C1-C4烷基，CO2C2H5或CO2C(CH3)3；R5，R6，R7独立地代表氢或C1-C4烷基，或R5和R6共同形成乙烯桥，R7代表氢，或R5和R7共同形成乙烯桥，R6代表氢。此外，还涉及新化合物的合成，新的生理活性化合物，“分子工具”，制药组合物，其制备方法以及用于治疗和预防各种疾病包括中枢神经系统（CNS）疾病的方法。