2-(2,4-difluorobenzylamino)ethanol | 1092287-13-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2,4-difluorobenzylamino)ethanol
• 英文别名: 2-{[(2,4-Difluorophenyl)methyl]amino}ethan-1-ol；2-[(2,4-difluorophenyl)methylamino]ethanol
• CAS: 1092287-13-2
• 化学式: C₉H₁₁F₂NO
• mdl: MFCD10691915
• 分子量: 187.189
• InChiKey: IAWBMJNYSXYPQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2,4-difluorobenzylamino)ethanol 在 sodium dithionite 、 水 、 sodium hydride 、 N,N-二异丙基乙胺 、 三氟乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 10.83h， 生成 1-{3-chloro-4-[2-(2,4-difluoro-benzylamino)-ethoxy]-phenyl}-3-(5-cyano-pyrazin-2-yl)-urea
  参考文献：
  名称：

  [EN] MODULATORS OF CHK-1 ACTIVITY
  [FR] COMPOSÉS PHARMACEUTIQUES

  摘要：

  公开号：

  WO2011141716A3
• 作为产物：
  描述：

  2,4-二氟苯甲醛 、 C.I.酸性橙108 在 碳酸氢钠 、 甲醇 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以69%的产率得到2-(2,4-difluorobenzylamino)ethanol
  参考文献：
  名称：

  [EN] MODULATORS OF CHK-1 ACTIVITY
  [FR] COMPOSÉS PHARMACEUTIQUES

  摘要：

  公开号：

  WO2011141716A3

文献信息

• [EN] THERAPEUTIC MACROLIDE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS DE MACROLIDES THÉRAPEUTIQUES ET UTILISATION DE CEUX-CI
  申请人：MERLION PHARMACEUTICALS PTE LT

  公开号：WO2010062265A1

  公开（公告）日：2010-06-03

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain macrolide compounds (for convenience, collectively referred to herein as "MC compounds"), which, inter alia, are useful in treatment of cancer. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to treat proliferative conditions such as cancer, and in the treatment of diseases and conditions that are mediated by the regulation (e.g. inhibition) of cell proliferation, optionally in combination with another agent.

  本发明一般涉及治疗化合物领域，更具体地涉及某些大环内酯化合物（为方便起见，本文统称为“MC化合物”），这些化合物在癌症治疗中有用。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在体外和体内治疗增殖性疾病，如癌症，并在治疗通过细胞增殖调控（例如抑制）介导的疾病和病症方面的用途，可选地与另一药剂结合。
• PHARMACEUTICAL COMPOUNDS
  申请人：Boyle Robert George

  公开号：US20130065900A1

  公开（公告）日：2013-03-14

  The invention provides a compound of the formula (1): or a salt, N-oxide or tautomer thereof; wherein R 1 is cyano or C 1-4 alkyl; R 2 is hydrogen or C 1-4 alkyl; R 3 is hydrogen or C 1-4 alkyl; R 4 and R 5 are the same or different and each is selected from hydrogen, saturated C 1-4 hydrocarbyl and saturated C 1-4 hydrocarbyloxy; R 6 and R 7 are the same or different and each is selected from hydrogen, halogen, CN, C 1-4 alkyl and C 1-4 alkoxy wherein the C 1-4 alkyl and C 1-4 alkoxy are each optionally substituted with hydroxy, C 1-2 alkoxy or by one or more flourine atoms; R 8 is hydrogen or C 1-4 alkyl; Q is an alkylene chain of 1 to 4 carbon atoms in length between the moiety Ar and the nitrogen atom N, wherein one or more of the 1 to 4 carbon atoms of the alkylene chain may optionally be substituted with one or two C 1-4 alkyl groups, or wherein one carbon atom of the 1 to 4 carbon atoms of the alkylene chain may optionally be substituted with a group —CH 2 CH 2 — which together with the said one carbon atom forms a cyclopropyl group; m is 1, 2, 3 or 4; n is 0 or 1; and Ar is a monocyclic or bicyclic aryl or heteroaryl group of 5 to 10 ring members containing 0, 1, 2, 3 or 4 heteroatom ring members selected from O, N and S, the aryl or heteroaryl group being optionally substituted with one to four substituents R 13 as defined in the claims. The compounds are inhibitors of Chk-1 kinase and are active against cancers.

  本发明提供了化合物的公式（1）：或其盐，N-氧化物或互变异构体；其中R1是氰基或C1-4烷基；R2是氢或C1-4烷基；R3是氢或C1-4烷基；R4和R5相同或不同，每个都选择自氢，饱和的C1-4烃基和饱和的C1-4烃基氧；R6和R7相同或不同，每个都选择自氢，卤素，CN，C1-4烷基和C1-4烷氧，其中C1-4烷基和C1-4烷氧均可选地用羟基，C1-2烷氧或一个或多个氟原子取代；R8是氢或C1-4烷基；Q是长度为1到4个碳原子的烷基链，在基团Ar和氮原子N之间，其中1到4个碳原子中的一个或多个可以可选地用一个或两个C1-4烷基取代，或其中1个碳原子可以可选地用一个—CH2CH2—基团取代，与所述1个碳原子一起形成环丙基基团；m为1、2、3或4；n为0或1；Ar是一个含有0、1、2、3或4个杂环原子环成的5到10个环成员的单环或双环芳基或杂芳基，所述芳基或杂芳基可选地用一到四个定义如权利要求中所定义的取代基R13取代。这些化合物是Chk-1激酶的抑制剂，对癌症具有活性。
• Pharmaceutical compounds
  申请人：Boyle Robert George

  公开号：US08716287B2

  公开（公告）日：2014-05-06

  A compound of the formula (I):

  化合物的式子（I）：
• Therapeutic Macrolide Compounds and Their Use
  申请人：Boyce Rustum S.

  公开号：US20110237566A1

  公开（公告）日：2011-09-29

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain macrolide compounds (for convenience, collectively referred to herein as “MC compounds”), which, inter alia, are useful in treatment of cancer. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to treat proliferative conditions such as cancer, and in the treatment of diseases and conditions that are mediated by the regulation (e.g. inhibition) of cell proliferation, optionally in combination with another agent.
• US8716287B2
  申请人：——

  公开号：US8716287B2

  公开（公告）日：2014-05-06