5-(1,2-Dihydroxy-2-(pyridin-4-yl)ethyl)-2,3-dihydro-1H-inden-1-one O-methyl oxime

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 5-(1,2-Dihydroxy-2-(pyridin-4-yl)ethyl)-2,3-dihydro-1H-inden-1-one O-methyl oxime
• 英文别名: 1-[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]-2-pyridin-4-ylethane-1,2-diol
• 化学式: C₁₇H₁₈N₂O₃
• 分子量: 298.34
• InChiKey: CSJXMGWIFCRNGY-XDJHFCHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  74.9
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Imidazole derivatives as raf kinase inhibitors
  申请人：——

  公开号：US20040038964A1

  公开（公告）日：2004-02-26

  Novel compounds (I) and their use as pharmaceuticals particularly as Raf kinase inhibitors for the treatment of neurotraumatic diseases, cancer, chronic neurodegeneration, pain, migraine and cardiac hypertrophy wherein Ar is a group of formula a) or b).

  小说化合物（I）及其作为药物的用途，特别是作为Raf激酶抑制剂用于治疗神经创伤性疾病，癌症，慢性神经退行性疾病，疼痛，偏头痛和心脏肥大，其中Ar是a）或b）公式的一组。
• Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor
  申请人：Spector Lee Neil

  公开号：US20050176740A1

  公开（公告）日：2005-08-11

  The present invention relates to a method of treating cancer in a mammal and to pharmaceutical combinations useful in such treatment. In particular, the method relates to a cancer treatment method that includes administering an erb family inhibitor and a Raf and/or ras inhibitor to a mammal suffering from a cancer.

  本发明涉及一种治疗哺乳动物癌症的方法和在这种治疗中有用的药物组合。具体来说，该方法涉及一种癌症治疗方法，包括向患有癌症的哺乳动物施用erb家族抑制剂和Raf和/或ras抑制剂。
• Imidazole-2-Carboxamide Derivatives as Raf Kinase Inhibitors
  申请人：Dean Kenneth David

  公开号：US20080108615A1

  公开（公告）日：2008-05-08

  The present invention relates to compounds of formula (I): pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, use as Raf Kinase Inhibitors and treatment methods for neurotraumatic diseases and cancer.

  本发明涉及式（I）的化合物：其药学上可接受的盐，相应的制药组合物，用作Raf激酶抑制剂和治疗神经创伤性疾病和癌症的治疗方法。
• IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS
  申请人：DEAN Kenneth David

  公开号：US20070135433A1

  公开（公告）日：2007-06-14

  Novel compounds and their use as pharmaceuticals particularly as Raf kinase inhibitors for the treatment of neurotraumatic diseases, cancer, chronic neurodegeneration, pain, migraine and cardiac hypertrophy.

  小说化合物及其作为药物的使用，特别是作为Raf激酶抑制剂，用于治疗神经创伤性疾病、癌症、慢性神经退化、疼痛、偏头痛和心脏肥大。
• Imidazole-2-carboxamide derivatives as raf kinase inhibitors
  申请人：——

  公开号：US20040127496A1

  公开（公告）日：2004-07-01

  Compounds of formula (I): wherein X is O, CH 2 , S or NH, or the moiety X—R 1 is hydrogen; Y 1 and Y 2 independently represent CH or N; R 1 is hydrogen, C 1-6 alkyl, C 3-7 cycloalkyl, aryl, arylC 1-6 alkyl, heterocyclyl, heterocyclylC 1-6 alkyl, heteroaryl, or heteroarylC 1-6 alkyl, any of which except hydrogen may be optionally substituted; R 2 and R 3 independently represent hydrogen, C 1-6 alkyl, C 3-7 cycloalkyl, aryl, arylC 1-6 alkyl, heteroaryl, heteroarylC 1-6 alkyl, heterocyclyl, or heterocyclylC 1-6 alkyl, or R 2 and R 3 together with the nitrogen atom to which they are attached form a 4- to 10-membered monocyclic or bicyclic ring; Ar is a group of the formula a) or b), wherein A represents a fused 5- to 7-membered ring optionally containing up to two heteroatoms selected from O, S and NR 5 , wherein R 5 is hydrogen or C 1-6 alkyl, which ring is optionally substituted by up to 2 substituents selected from halogen, C 1-6 alkyl, hydroxy, C 1-6 alkoxy or keto; R a and R 4 are independently selected from hydrogen, halogen, C 1-6 alkyl, aryl, arylC 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkoxyC 1-6 alkyl, haloC 1-6 alkyl, arylC 1-6 alkoxy, hydroxy, nitro, cyano, azido, amino, mono- and di-N-)C 1-6 alkylamino, acylamino, arylcarbonylamino, acyloxy, carboxy, carboxy salts, carboxy esters, carbamoyl, mono- and di-N—C 1-6 alkylcarbamoyl, C 1-6 alkoxycarbonyl, aryloxycarbonyl, ureido, guanidino, C 1-6 alkylguanidino, amidino, C 1-6 alkylamidino, sulphonylamino, aminosulphonyl, C 1-6 alkylthio, C 1-6 alkyl sulphinyl or C 1-6 alkylsulphonyl; and one of X 1 and X 2 is N and the other is NR 6 , wherein R 6 is hydrogen, C 1-6 alkyl, or arylC 1-6 alkyl; or pharmaceutically acceptable salts thereof. 1

  式 (I) 的化合物： 其中 X 是 O、CH 2 、S 或 NH，或分子 X-R 1 是氢；Y 1 和 Y 2 分别代表 CH 或 N；R 1 是氢、C 1-6 烷基、C 3-7 环烷基、芳基、芳基C 1-6 烷基、杂环基、杂环基C 1-6 烷基、杂芳基或杂芳基C 1-6 烷基，其中除氢以外的任何一个均可被任选取代； R 2 和 R 3 分别代表氢、C 1-6 烷基 3-7 环烷基、芳基、芳基 C 1-6 烷基、杂芳基、杂芳基C 1-6 烷基、杂环烷基或杂环烷基C 1-6 烷基，或 R 2 和 R 3 与它们所连接的氮原子一起形成一个 4 至 10 元的单环或双环；Ar 是式 a) 或 b) 的基团，其中 A 代表一个融合的 5 至 7 元环，可选地含有最多两个选自 O、S 和 NR 的杂原子。 5 其中 R 5 是氢或 C 1-6 烷基，该环可任选被至多 2 个取代基取代，这些取代基选自卤素、C 1-6 烷基、羟基、C 1-6 烷氧基或酮 a 和 R 4 独立选自氢、卤素、C 1-6 烷基、芳基、芳基 C 1-6 烷基、C 1-6 烷氧基、C 1-6 烷氧基C 1-6 烷基、卤代C 1-6 烷基、芳基C 1-6 烷氧基、羟基、硝基、氰基、叠氮基、氨基、单-和双-N-)C 1-6 烷基氨基、酰氨基、芳基羰基氨基、酰氧基、羧基、羧基盐、羧基酯、氨基甲酰基、单-和二-N-C 1-6 1-6 烷基氨基甲酰基、C 1-6 烷氧基羰基、芳氧基羰基、脲基、胍基、C 1-6 1-6 烷基胍基、脒基、C 1-6 烷基氨基、磺酰氨基、氨基磺酰基、C 1-6 烷硫基、C 1-6 烷基亚磺酰基或 C 1-6 烷基磺酰基；以及 X 1 和 X 2 之一为 N，另一个为 NR 6 其中 R 6 是氢、C 1-6 烷基或芳基 1-6 烷基；或其药学上可接受的盐类。 1