4-cyano-1H-imidazole-2-carboxylic acid [1'-(2-dimethylamino-acetyl)-6-(4,4-dimethyl-cyclohex-1-enyl)-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-5-yl]-amide trifluoroacetate

• 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: 4-cyano-1H-imidazole-2-carboxylic acid [1'-(2-dimethylamino-acetyl)-6-(4,4-dimethyl-cyclohex-1-enyl)-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-5-yl]-amide trifluoroacetate
• 英文别名: 4-cyano-1H-imidazole-2-carboxylic acid [1'-(2-dimethylamino-acetyl)-6-(4,4-dimethyl-cyclohex-1-enyl)-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-5-yl]-amide trifluoroacetic acid salt；4-Cyano-1H-imidazole-2-carboxylic acid[1'-(2-dimethylamino-acetyl)-6-(4,4-dimethyl-cyclohex-1-enyl)-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-5-yl]-amide trifluoroacetic acid Salt；5-cyano-N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
• 化学式: C₂HF₃O₂*C₂₇H₃₅N₇O₂
• 分子量: 603.645
• InChiKey: PAWRRYIUGJQFBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.42
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  155
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4-cyano-1H-imidazole-2-carboxylic acid [6-(4,4-dimethyl-cyclohex-1-enyl)-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-5-yl]-amide trifluoroacetate 在 双(2-氧代-3-恶唑烷基)次磷酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 以53%的产率得到4-cyano-1H-imidazole-2-carboxylic acid [1'-(2-dimethylamino-acetyl)-6-(4,4-dimethyl-cyclohex-1-enyl)-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-5-yl]-amide trifluoroacetate
  参考文献：
  名称：

  METHOD OF INHIBITING C-KIT KINASE

  摘要：

  本发明提供了一种减少或抑制细胞或主体中C-KIT激酶活性的方法，以及使用本发明的化合物预防或治疗主体中的细胞增殖障碍和/或与C-KIT相关疾病的应用：或其溶剂化物、水合物、互变异构体或药用可接受盐。本发明进一步涉及治疗癌症和其他细胞增殖障碍等条件的方法。

  公开号：

  US20080051402A1

文献信息

• SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR
  申请人：Baumann Andrew Christian

  公开号：US20060281788A1

  公开（公告）日：2006-12-14

  The invention is directed to a method of inhibiting FLT3 tyrosine kinase activity or expression or reducing FLT3 kinase activity or expression in a cell or a subject comprising the administration of a farnesyl transferase inhibitor and a FLT3 kinase inhibitor selected from compounds of Formula I′: Included within the present invention is both prophylactic and therapeutic methods for treating a subject at risk of (or susceptible to) developing a cell proliferative disorder or a disorder related to FLT3.

  本发明涉及一种抑制FLT3酪氨酸激酶活性或表达或减少细胞或受试者中FLT3激酶活性或表达的方法，包括管理法尼基转移酶抑制剂和从公式I'的化合物中选择的FLT3激酶抑制剂。 本发明包括用于治疗处于发展细胞增殖障碍或与FLT3相关障碍风险（或易感性）的受试者的预防和治疗方法。
• Inhibitors of c-fms kinase
  申请人：Illig R. Carl

  公开号：US20060189623A1

  公开（公告）日：2006-08-24

  The invention is directed to compounds of Formula I: wherein A, X, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, colon cancer, stomach cancer, hairy cell leukemia and non-small lung carcinoma; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including arthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.

  本发明涉及式I的化合物：其中A，X，R2和W在规范中列出，以及其溶剂化物，水合物，互变异构体和药学上可接受的盐，该化合物抑制蛋白酪氨酸激酶，特别是c-fms激酶。本发明还提供了使用式I的化合物治疗自身免疫性疾病和具有炎症成分的疾病的方法；治疗卵巢癌，子宫癌，乳腺癌，结肠癌，胃癌，毛细胞白血病和非小细胞肺癌的转移；以及治疗疼痛，包括由肿瘤转移或骨关节炎引起的骨骼疼痛，或内脏，炎症和神经源性疼痛；以及骨质疏松症，帕吉特病和其他骨吸收介导的疾病，包括关节炎，假体失效，溶骨性肉瘤，骨髓瘤和向骨骼的肿瘤转移。
• METHOD OF INHIBITING FLT3 KINASE
  申请人：Ballentine K. Shelley

  公开号：US20070149572A1

  公开（公告）日：2007-06-28

  A method of reducing or inhibiting kinase activity of FLT3 in a cell or a subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to FLT3 using a ompound of the present invention: or a solvate, hydrate, tautomer or pharmaceutically acceptable salt thereof. The present invention is further directed to methods for treating conditions such as cancers and other cell proliferative disorders.

  一种减少或抑制细胞或受试者中FLT3激酶活性的方法，以及使用本发明的化合物预防或治疗受试者的细胞增殖性疾病和/或与FLT3相关的疾病：或其溶剂化物、水合物、互变异构体或药学上可接受的盐。本发明进一步涉及用于治疗癌症和其他细胞增殖性疾病的方法。
• Method of inhibiting FLT3 kinase
  申请人：Janssen Pharmaceutica NV

  公开号：US07795279B2

  公开（公告）日：2010-09-14

  A method of reducing or inhibiting kinase activity of FLT3 in a cell or a subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to FLT3 using a compound of the present invention: or a solvate, hydrate, tautomer or pharmaceutically acceptable salt thereof. The present invention is further directed to methods for treating conditions such as cancers and other cell proliferative disorders.

  本发明涉及一种在细胞或受试者中减少或抑制FLT3激酶活性的方法，以及使用本发明的化合物预防或治疗受试者中的细胞增殖性疾病和/或与FLT3相关的疾病：或其溶剂化物，水合物，互变异构体或药学上可接受的盐。本发明还涉及用于治疗癌症和其他细胞增殖性疾病等疾病的方法。
• USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER
  申请人：Manthey Carl L.

  公开号：US20100256148A1

  公开（公告）日：2010-10-07

  The present invention provides therapeutic methods for treating a subject having, and prophylactic methods for preventing in a subject at risk of (or susceptible to) developing, bone cancer and the bone loss and bone pain associated with bone cancer, said method comprising the administration of a compound of Formula I: or a solvate, hydrate, tautomer or pharmaceutically acceptable salt thereof.

  本发明提供了治疗患有骨癌或预防有骨癌风险（或易患骨癌）的患者骨质丧失和骨痛的治疗方法，其中所述方法包括给患者给予化合物I的给药，或其溶剂、水合物、互变异构体或药学上可接受的盐。