10,11-dihydro-12H-dibenzo[a,d]cycloocten-5-ol | 5101-32-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 10,11-dihydro-12H-dibenzo[a,d]cycloocten-5-ol
• 英文别名: 12-hydroxy-5,6,7,12-tetrahydrodibenzocyclooctene；5,6,7,12-tetrahydrodibenzo[a,d][8]annulen-12-ol；5-Hydroxy-dibenzo<1.4>cyclooctadien；Tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-ol
• CAS: 5101-32-6
• 化学式: C₁₆H₁₆O
• 分子量: 224.302
• InChiKey: XQXYRRACJFKLGK-UHFFFAOYSA-N

物化性质

• 熔点：
  114 °C
• 沸点：
  391.6±21.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  10,11-dihydro-12H-dibenzo[a,d]cycloocten-5-ol 在 盐酸 作用下， 生成 Dibenzocyclooctadien-5-carbonsaeure
  参考文献：
  名称：

  抗惊厥。I.二苯并（A，D）环庚二烯-5-羧酰胺和相关化合物。

  摘要：

  DOI：

  10.1021/jm00331a019
• 作为产物：
  描述：

  2-乙酰苯甲酸 在 sodium tetrahydroborate 、 磷酸 、 氢碘酸 、 phosphorus pentoxide 作用下， 生成 10,11-dihydro-12H-dibenzo[a,d]cycloocten-5-ol
  参考文献：
  名称：

  Parvulescu, Luminitza; Banciu, Anca; Pop, Mircea, Revue Roumaine de Chimie, 2004, vol. 49, # 8, p. 725 - 731

  摘要：

  DOI：

文献信息

• OXADIAZOLINE COMPOUND AND FORMULATION FOR CONTROLLING HARMFUL ORGANISMS
  申请人：Nippon Soda Co., Ltd.

  公开号：US20200170254A1

  公开（公告）日：2020-06-04

  The present invention provides a compound represented by formula (I) (in formula (I), R 1 represents a substituted or unsubstituted C1-6 alkyl group, R 2 represents a substituted or unsubstituted C1-8 alkyl group, R 3 represents a hydrogen atom or a substituted or unsubstituted C1-6 alkyl group, A represents a substituted or unsubstituted o-phenylene group, a substituted or unsubstituted bezylene group, or the like, B represents an oxy group, a substituted or unsubstituted oxymethylene group, or the like, and Q represents a substituted or unsubstituted o-phenylene group), or a salt thereof.

  本发明提供一种由式(I)表示的化合物（在式(I)中，R1代表取代或未取代的C1-6烷基基团，R2代表取代或未取代的C1-8烷基基团，R3代表氢原子或取代或未取代的C1-6烷基基团，A代表取代或未取代的o-苯基基团，取代或未取代的苯基基团等，B代表氧基，取代或未取代的氧甲基基团等，Q代表取代或未取代的o-苯基基团）或其盐。
• OXADIAZOLINE COMPOUND AND PEST CONTROL AGENT
  申请人：Nippon Soda Co., Ltd.

  公开号：EP3640244A1

  公开（公告）日：2020-04-22

  The present invention provides a compound represented by formula (I) (in formula (I), R1 represents a substituted or unsubstituted C1-6 alkyl group, R2 represents a substituted or unsubstituted C1-8 alkyl group, R3 represents a hydrogen atom or a substituted or unsubstituted C1-6 alkyl group, A represents a substituted or unsubstituted o-phenylene group, a substituted or unsubstituted bezylene group, or the like, B represents an oxy group, a substituted or unsubstituted oxymethylene group, or the like, and Q represents a substituted or unsubstituted o-phenylene group), or a salt thereof.

  本发明提供了由式（I）代表的化合物（在式（I）中，R1 代表取代或未取代的 C1-6 烷基，R2 代表取代或未取代的 C1-8 烷基，R3 代表氢原子或取代或未取代的 C1-6 烷基、 A代表取代或未取代的邻苯基、取代或未取代的苄基或类似基团，B代表氧基、取代或未取代的氧亚甲基或类似基团，Q代表取代或未取代的邻苯基），或其盐。
• van der Stelt,C. et al., Recueil des Travaux Chimiques des Pays-Bas, 1973, vol. 92, p. 493 - 512
  作者：van der Stelt,C. et al.

  DOI：——

  日期：——
• New triazine derivatives as potent modulators of multidrug resistance
  作者：Alain Dhainaut、Gilbert Regnier、Ghanem Atassi、Alain Pierre、Stephane Leonce、Laurence Kraus-Berthier、Jean Francois Prost

  DOI：10.1021/jm00091a017

  日期：1992.6

  A series of 70 triazine derivatives have been synthesized and tested for their capacity to modulate multidrug resistance (MDR) in DC-3F/AD and KB-A1 tumor cells in vitro, in comparison with verapamil (VRP), a calcium channel antagonist currently used in therapy as an antihypertensive drug, which also shows MDR modulating activity. Among the 12 selected compounds, 16 (S9788) showed high MDR reversing properties in vitro (300- and 6-fold VRP at 5-mu-M in DC-3F/AD and KB-A1 cells, respectively) and induced a strong accumulation of adriamycin. The relationship between the increase of ADR accumulation and the fold reversal induced by these compounds and their lack of effects on the sensitive DC-3F cells suggest that they act mainly by inhibiting the P-glycoprotein (Pgp) catalyzed efflux of cytotoxic agents, as already described for a majority of MDR modulators. In vivo, in association with the antitumor drug vincristine (0.25 mg/kg), 16 (100 mg/kg) increased the TIC by 39% in mice bearing the resistant tumor cell line P388/VCR. According to these interesting properties, 16 was selected for a clinical development because it was more bioavailable than 34, even though it was less active.
• New Psychotropic Agents.^1a IV. Derivatives of Dibenzo[a,d][1,4]cycloöctadiene
  作者：Stanley O. Winthrop、M. A. Davis、F. Herr、J. Stewart、Roger Gaudry

  DOI：10.1021/jm00338a010

  日期：1963.3