3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene | 18123-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene
• 英文别名: 3,4,4A,5,6,10b-hexahydro-2H-benzo[h]chromen；3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene
• CAS: 18123-51-8
• 化学式: C₁₃H₁₆O
• 分子量: 188.269
• InChiKey: NOQWBRIOSGFXCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2H-naphtho[1,2-b]pyran-2-one 在 copper oxide-chromium oxide 作用下， 250.0 ℃ 、19.61 MPa 条件下， 生成 2-(3-羟基丙基)-1-萘酚 、 3,4,4a,5,6,10b-hexahydro-2H-benzo[h]chromene
  参考文献：
  名称：

  The Hydrogenation of Some Substituted Coumarins¹

  摘要：

  DOI：

  10.1021/ja01868a050

文献信息

• PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE
  申请人：Furuyama Hidetomo

  公开号：US20100221211A1

  公开（公告）日：2010-09-02

  The invention relates to a compound of general formula (I-0): wherein R 1 means a C1-C6 alkyl group, a C2-C6 alkenyl group, a C2-C6 alkynyl group, or a C3-C6 cycloalkyl group; R 2 , R 3 , R 4 and R 5 mean a hydrogen atom, a halogen atom, a C1-C6 alkyl group, a halo-C1-C6 alkyl group, a C1-C6 alkoxy group, or a halo-C1-C6 alkoxy group; R 6 means a hydrogen atom, or a C1-C6 alkyl group; R 7a means a hydrogen atom, a halogen atom, a C1-C6 alkyl group, a halo-C1-C6 alkyl group, a C1-C6 alkoxy group, a hydroxy-C1-C6 alkyl group, -Q2-N(R 1c )R 1d or a nitrogen-containing heterocyclic group; R 8a means a hydrogen atom, a halogen atom, a C1-C6 alkyl group, a halo-C1-C6 alkyl group, a C1-C6 alkoxy group or a hydroxy-C1-C6 alkyl group; or R 7a and R 8a form, as taken together, a C2-C6 alkylene group, or R 7a and R 8a and the ring atoms to which they bond may form a spiro ring or a bicyclo ring; and X and Y mean a methine group or a nitrogen atom. The compound of the invention has, based on its excellent Wee1 kinase-inhibitory effect, a cell growth-inhibitory effect and an additive/synergistic effect with any other anticancer agent, and is therefore useful in the field of medicine.

  本发明涉及一种通式（I-0）的化合物：其中，R1表示C1-C6烷基、C2-C6烯基、C2-C6炔基或C3-C6环烷基；R2、R3、R4和R5表示氢原子、卤素原子、C1-C6烷基、卤代C1-C6烷基、C1-C6烷氧基或卤代C1-C6烷氧基；R6表示氢原子或C1-C6烷基；R7a表示氢原子、卤素原子、C1-C6烷基、卤代C1-C6烷基、C1-C6烷氧基、羟基-C1-C6烷基、-Q2-N（R1c）R1d或含氮杂环基；R8a表示氢原子、卤素原子、C1-C6烷基、卤代C1-C6烷基、C1-C6烷氧基或羟基-C1-C6烷基；或R7a和R8a共同形成C2-C6亚烷基基团，或R7a和R8a以及它们连接的环原子可以形成螺环或双环；X和Y表示亚甲基基团或氮原子。该化合物基于其优异的Wee1激酶抑制效果具有细胞生长抑制效果，并且与任何其他抗癌药物具有附加/协同作用，因此在医学领域中有用。
• BICYCLOANILINE DERIVATIVE
  申请人：Bamba Makoto

  公开号：US20110135601A1

  公开（公告）日：2011-06-09

  The invention relates to a compound of a general formula (I): wherein A 1 and A 2 each mean a nitrogen atom or an optionally-substituted methine group; Ring B means a 5-membered to 7-membered aliphatic ring, or a spiro or bicyclo ring formed from the aliphatic ring and any other 3-membered to 7-membered aliphatic ring; R 1 means a hydrogen atom, or an optionally-substituted C1-C6 alkyl group, or an optionally-substituted aryl, aralkyl or heteroaryl group; R 2 means an optionally-substituted aryl, aralkyl or heteroaryl group; and X means a group of ═NH or ═O, etc. Based on its excellent Wee1 kinase-inhibitory effect, the compound of the invention has cell growth-inhibitory effect and has an additive/synergistic effect with any other anticancer agent, and is therefore useful in the field of medicine.

  本发明涉及一种通式（I）的化合物：其中A1和A2分别表示氮原子或可选取代的亚甲基基团；环B表示5至7成员的脂环，或由该脂环和任何其他3至7成员的脂环形成的螺环或双环；R1表示氢原子，或可选取代的C1-C6烷基基团，或可选取代的芳基、芳基烷基或杂环芳基基团；R2表示可选取代的芳基、芳基烷基或杂环芳基基团；X表示═NH或═O等基团。基于其出色的Wee1激酶抑制作用，本发明的化合物具有细胞生长抑制作用，并与任何其他抗癌剂具有附加/协同作用，因此在医学领域中非常有用。
• RADIOLABELLING METHODS
  申请人：Arstad Erik

  公开号：US20100040545A1

  公开（公告）日：2010-02-18

  The present invention relates to methods of synthesising radiolabelled compounds, to the precursors useful in such methods and to the radiolabelled compounds obtainable by such methods. More particularly, the present invention relate to methods, precursors and radiolabelled compounds useful in Positron Emission Tomography (PET) and Single Photon Emission Computed Tomography (SPECT) especially for imaging neuroreceptors with radiolabelled agonists.
• US8329711B2
  申请人：——

  公开号：US8329711B2

  公开（公告）日：2012-12-11
• US8436004B2
  申请人：——

  公开号：US8436004B2

  公开（公告）日：2013-05-07