5-Chloro-3,3-dimethyl-1-{2-[4-(4-fluorobenzoyl)-1-piperidinyl]-1-ethyl}-1,3-dihydro-2H-indol-2-one | 379215-86-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Chloro-3,3-dimethyl-1-{2-[4-(4-fluorobenzoyl)-1-piperidinyl]-1-ethyl}-1,3-dihydro-2H-indol-2-one
• 英文别名: 5-Chloro-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one
• CAS: 379215-86-8
• 化学式: C₂₄H₂₆ClFN₂O₂
• 分子量: 428.934
• InChiKey: VQIBKMHILNPFOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• 5HT1Dalpha and 5HT2A ligands
  申请人：LILLY INDUSTRIES LIMITED

  公开号：EP0780388A1

  公开（公告）日：1997-06-25

  A pharmaceutical compound of the formula in which R1 and R2 are each hydrogen, C1-4 alkyl, C1-4 alkoxy, HO-C1-4 alkyl, C1-4 alkoxy-C1-4 alkyl, C1-4 alkylthio, halo or phCR'R"- where Ph is optionally substituted phenyl and R' and R" are each hydrogen or C1-4 alkyl, or R1 and R2 together with the carbon atom to which they are attached form a C3-6 cycloalkyl group, R3, R4 and R5 are each hydrogen, halo, nitro, C1-4 alkyl, C1-4 alkoxy, C1-4 alkylthio, C1-4 alkyl-CO-, C1-4 alkyl-S(O)m-where m is 0, 1 or 2, R'R"N-SO2-, -COOR', -CONR'R", -NR'R", -N(OR')COOR", -COR', -NHSO2R', where R' and R" are each hydrogen or C1-4 alkyl, R6 and R7 are each hydrogen or C1-4 alkyl, and n is 1 to 6, X is oxygen or sulphur, W is where p is 4 to 7, and q and r are each 1 to 3, Y is 〉CO or -CH(OH)-, and Z is optionally substituted phenyl or optionally substituted heteroaryl; and salts and esters thereof.

  一种药物化合物，其化学式为 其中 R1和R2各自为氢、C1-4烷基、C1-4烷氧基、HO-C1-4烷基、C1-4烷氧基-C1-4烷基、C1-4烷硫基、卤代或phCR'R"- 其中Ph为任选取代的苯基，R'和R "各自为氢或C1-4烷基，或R1和R2与其所连接的碳原子一起形成C3-6环烷基、 R3、R4 和 R5 各自为氢、卤代、硝基、C1-4 烷基、C1-4 烷氧基、C1-4 烷硫基、C1-4 烷基-CO-、C1-4 烷基-S(O)m-（其中 m 为 0、1 或 2）、R'R "N-SO2-、-COOR'、-CONR'R"、-NR'R"、-N(OR')COOR"、-COR'、-NHSO2R'，其中 R' 和 R "各自为氢或 C1-4 烷基、 R6 和 R7 分别为氢或 C1-4 烷基，n 为 1 至 6、 X 是氧或硫、 W 是 其中 p 为 4 至 7，q 和 r 各为 1 至 3、 Y 是 〉CO 或 -CH(OH)-、 和 Z 是任选取代的苯基或任选取代的杂芳基； 及其盐类和酯类。
• Pharmaceutical compositions and their use
  申请人：——

  公开号：US20030212109A1

  公开（公告）日：2003-11-13

  A pharmaceutical composition comprising a serotonin transport inhibitor and a 5-HT1D antagonist, together with a pharmaceutically acceptable diluent or carrier.
• [EN] HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER<br/>[FR] INHIBITEURS DE HTR1D ET LEURS UTILISATIONS DANS LE TRAITEMENT DU CANCER
  申请人：INST CURIE

  公开号：WO2020183011A1

  公开（公告）日：2020-09-17

  The present invention deals with a 5 -hydroxytryptamine receptor 1D (5-HTR1D) inhibitor and with a combination of a 5-HTR1D inhibitor and at least one inhibitor of 5 -hydroxytryptamine receptor 1B (5-HTR1B) for use in the prevention and/or treatment of cancer in a subject in need thereof. According to the invention the cancer may be selected from the group comprising breast cancer, liver cancer, lung cancer, brain cancer, mesothelioma, head and neck squamous cell carcinoma, kidney cancer, gastric cancer and cervix cancer.