2-[(Dimethylamino)methyl]furan-3-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 2-[(Dimethylamino)methyl]furan-3-carboxylic acid
• 化学式: C₈H₁₁NO₃
• 分子量: 169.18
• InChiKey: SIBKYRDYGPXMDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  53.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Pharmaceutical Compounds
  申请人：Berdini Valerio

  公开号：US20100004232A1

  公开（公告）日：2010-01-07

  The use of a compound for the manufacture of a medicament for the prophylaxis or treatment of: A. a disease state or condition mediated by a kinase which is BCR-abl, VEGFR, PDGFR, EGFR, Flt3, JAK (e.g. JAK2 or JAK3), C-abl, PDK1, Chk (e.g. Cbk1 or Chk2), FGFR (e.g. FGFR3), Ret, Eph (e.g. EphB2 or EphB4), or Src (e.g. cSrc); or B. a cancer in which the cancer cells thereof contain a drug resistant kinase mutation which is: (a) a threonine gatekeeper mutation; or (b) a drug-resistant gatekeeper mutation; or (c) an imatinib resistant mutation; or (d) a nilotinib resistant mutation; or (e) a dasatinib resistant mutation; or (f) a T670I mutation in KIT; or (g) a T674I mutation in PDGFR; or (h) T790M mutation in EGFR; or (i) a T315I mutation in abl; or C. a cancer which expresses a mutated molecular target which is a mutated form of BCRabl, c-kit, PDGF, EGF receptor or ErbB2; or D. a disease mediated by a kinase containing a mutation in a region of the protein that binds to or interacts with other cancer agents but does not bind to or interact with the compounds of formula (I) or (I′), for example a mutated kinase selected from c-abl, c-kit, PDGFR including PDGFR-beta and PDGFR-alpha, and ErbB family members such as EGFR (ErbB1), HER2 (ErbB2), ErbB3, and ErbB4, members of the Ephrin receptor family including EphA1, EphA2, EphA3, EphA4, EphA5, EphA8, EphA10, EphB1, EphB2, EphB3, EphB5, EphB6, c-Src and kinases of the JAK family such as TYK2; wherein the compound is a compound of the formula (I or I′): or a salt, solvate, tautomer or N-oxide thereof wherein R 0′ , R 1 , R 1′ , R 2′ , R 3′ , R 4′ , A′, X′, E, A and M are as defined in the claims.

  使用该化合物制造药物，用于预防或治疗以下疾病状态或条件：A. 由激酶介导的疾病状态或条件，其中激酶是BCR-abl、VEGFR、PDGFR、EGFR、Flt3、JAK（例如JAK2或JAK3）、C-abl、PDK1、Chk（例如Cbk1或Chk2）、FGFR（例如FGFR3）、Ret、Eph（例如EphB2或EphB4）或Src（例如cSrc）；或B. 癌症，其癌细胞含有耐药激酶突变，该耐药激酶突变是：（a）苏氨酸门卫突变；或（b）耐药门卫突变；或（c）伊马替尼耐药突变；或（d）尼洛替尼耐药突变；或（e）达沙替尼耐药突变；或（f）KIT中的T670I突变；或（g）PDGFR中的T674I突变；或（h）EGFR中的T790M突变；或（i）abl中的T315I突变；或C. 表达突变分子靶点的癌症，该突变分子靶点是BCRabl、c-kit、PDGF、EGF受体或ErbB2的突变形式；或D. 由激酶介导的疾病，其中激酶在与其他癌症药物结合或相互作用的蛋白质区域中具有突变，但不与式（I）或（I'）化合物结合或相互作用，例如选择自c-abl、c-kit、PDGFR（包括PDGFR-beta和PDGFR-alpha）和ErbB家族成员，如EGFR（ErbB1）、HER2（ErbB2）、ErbB3和ErbB4，包括Ephrin受体家族成员，如EphA1、EphA2、EphA3、EphA4、EphA5、EphA8、EphA10、EphB1、EphB2、EphB3、EphB5、EphB6、c-Src和JAK家族的激酶；其中该化合物是式（I或I'）的化合物：或其盐、溶剂合物、互变异构体或N-氧化物，其中R0'、R1、R1'、R2'、R3'、R4'、A'、X'、E、A和M如权利要求所定义。
• PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES
  申请人：BERDINI Valerio

  公开号：US20120190673A1

  公开（公告）日：2012-07-26

  The invention provides a compound of the formula (I): or a salt, solvate, tautomer or N-oxide thereof, wherein M is selected from a group D1 and a group D2: and R′, E, A and X are as defined in the claims. Also provided are pharmaceutical compositions containing the compounds, processes for making the compounds and the use of the compounds in the prophylaxis or treatment of a disease state mediated by a CDK kinase, GSK-3 kinase or Aurora kinase.

  本发明提供公式（I）的化合物或其盐、溶剂合物、互变异构体或N-氧化物，其中M选自D1组和D2组：而R'、E、A和X如权利要求所定义。还提供包含该化合物的制药组合物，制备该化合物的方法以及将该化合物用于预防或治疗由CDK激酶、GSK-3激酶或Aurora激酶介导的疾病状态的用途。
• Benzimidazole compounds that modulate the activity of CDK, GSK and aurora kinases
  申请人：Astex Therapeutics Limited

  公开号：EP2395000A1

  公开（公告）日：2011-12-14

  The invention provides a compound of the formula (I): or a salt, solvate, tautomer or N-oxide thereof, wherein M is selected from a group D1 and a group D2: and R1, E, A and X are as defined above. Also provided are pharmaceutical compositions containing the compounds, processes for making the compounds and the use of the compounds in the prophylaxis or treatment of a disease state mediated by a CDK kinase, GSK-3 kinase or Aurora kinase.

  本发明提供了一种式 (I) 的化合物： 或其盐、溶解物、同分异构体或 N-氧化物、 其中 M 选自基团 D1 和基团 D2： 以及 R1、E、A 和 X 如上定义。 还提供了含有这些化合物的药物组合物、制造这些化合物的工艺以及这些化合物在预防或治疗由 CDK 激酶、GSK-3 激酶或 Aurora 激酶介导的疾病状态中的用途。
• US8110573B2
  申请人：——

  公开号：US8110573B2

  公开（公告）日：2012-02-07
• US8399442B2
  申请人：——

  公开号：US8399442B2

  公开（公告）日：2013-03-19