10,11-dihydrodibenz[b,f]oxepin-1,3-diol | 178816-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: 10,11-dihydrodibenz[b,f]oxepin-1,3-diol
• 英文别名: 5,6-dihydrobenzo[b][1]benzoxepine-2,4-diol
• CAS: 178816-03-0
• 化学式: C₁₄H₁₂O₃
• 分子量: 228.247
• InChiKey: MCZLCRBAPONHPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  10,11-dihydrodibenz[b,f]oxepin-1,3-diol 生成 2-acetyl-10,11-dihydrodibenzo[b,f]thiepin-1,3-diol
  参考文献：
  名称：

  US6180659

  摘要：

  公开号：

文献信息

• Anti-oxidative tricyclic, condensed heterocyclic compound
  申请人：Nippon Suisan Kaisha, Ltd.

  公开号：US05734067A1

  公开（公告）日：1998-03-31

  Providing a novel tricyclic, condensed heterocyclic compound having an anti-oxidative action and being promising for use in pharmaceutical agents, cosmetics, chemical products and the like. By chemical synthesis, a novel anti-oxidative, tricyclic, condensed heterocyclic compound represented by the following formula: ##STR1## (wherein X--Y represents CH.sub.2 --C.dbd.O, CH.sub.2 --CH.sub.2 or CH.dbd.CH; Z represents O, S, or S.dbd.O; R.sub.1 to R.sub.8 represent independently those selected from the group consisting of hydrogen atom, a hydroxyl group, a halogen group, a lower alkyl group, a lower alkoxyl group, a lower alkyl ketone group and CF.sub.3 ; and at least two of R.sub.1 to R.sub.4 are hydroxyl groups); and the salts thereof are provided. The compound has an anti-oxidative activity at the same degree as or higher than the activity of .alpha.-tocopherol, so the compound is promising as a therapeutic drug for a variety of diseases, such as cancer, arteriosclerosis, or liver diseases, in which it is believed that biological lipid peroxides may be involved.

  提供一种新型的三环、紧凑的杂环化合物，具有抗氧化作用，并且在药物、化妆品、化工产品等方面具有潜在用途。通过化学合成，提供了一种新型的抗氧化、三环、紧凑的杂环化合物，其化学式如下所示：##STR1##（其中X--Y代表CH.sub.2 --C.dbd.O、CH.sub.2 --CH.sub.2或CH.dbd.CH；Z代表O、S或S.dbd.O；R.sub.1到R.sub.8独立地代表从氢原子、羟基、卤素基、低碳基、低碳氧基、低碳基酮基和CF.sub.3等组成的群中选择的；且至少两个R.sub.1到R.sub.4是羟基）；以及其盐。该化合物具有与α-生育酚相同或更高程度的抗氧化活性，因此该化合物有望作为治疗各种疾病的药物，如癌症、动脉硬化或肝病等，这些疾病中可能涉及生物脂质过氧化物。
• Tracheal smooth muscle relaxants
  申请人：——

  公开号：US20030065021A1

  公开（公告）日：2003-04-03

  The present invention offers a tracheal smooth muscle relaxant containing the compound represented by the following formula (1) or pharmacologically acceptable salt thereof as an effective ingredient. 1 [In the formula, X and Y each is any group selected from a group consisting of CH 2 , CHW 1 (where W 1 is halogen atom, hydroxyl group or lower alkoxy group) and C═O when the bond of X and Y is a single bond while, when it is a double bond, X and Y each is any group selected from a group consisting of CH and COW 2 (where W 2 is lower alkyl group or lower alkylcarbonyl group); Z is O, S, S═O or SO 2 ; and R 1 ˜R 8 each is selected from a group consisting of hydrogen atom, VR 9 (where V is O, S, S═O or SO 2 ; and R 9 is hydrogen atom, lower alkyl group, hydroxy lower alkyl group, lower acyl group, trihalomethyl group or carboxyl lower alkyl group), carboxyl lower alkyl group, hydroxy lower alkyl group, hydroxy lower alkenyl group, hydroxy lower alkynyl group, halogen atom, lower alkyl group, lower alkyl ketone, trihalomethyl group, trimethylsilylethynyl, nitro group, amino group, N-carbonyl lower alkyl group, lower alkylphenyl group and phenyl group].

  本发明提供了一种气管平滑肌松弛剂，其含有以下公式（1）所表示的化合物或其药理学上可接受的盐作为有效成分。1＆lsqb;在公式中，当X和Y的键为单键时，X和Y各为从CH2，CHW1（其中W1为卤原子，羟基或较低的烷氧基）和C═O组成的群体中选择的任何一种群体；当它是双键时，X和Y各为从CH和COW2（其中W2为较低的烷基或较低的烷基羰基基团）组成的群体中选择的任何一种群体；Z为O、S、S═O或SO2；R1〜R8各为从氢原子、VR9（其中V为O、S、S═O或SO2；R9为氢原子、较低的烷基、羟基较低的烷基、较低的酰基、三卤甲基或羧基较低的烷基）组成的群体中选择的任何一种群体、羧基较低的烷基、羟基较低的烷基、羟基较低的烯基、羟基较低的炔基、卤原子、较低的烷基、较低的烷基酮、三卤甲基、三甲基硅基乙炔基、硝基、氨基、N-羰基较低的烷基、较低的烷基苯基和苯基。
• Tricyclic fused heterocycle compounds, process for preparing the same and use thereof
  申请人：Nippon Suisan Kaisha, Ltd., a Japan corporation

  公开号：US20030220360A1

  公开（公告）日：2003-11-27

  Compounds represented by formula (1), 1 wherein X is, for example, CH, CH 2 , CHR (wherein R is a lower alkyl group or a substituted lower alkyl group) or CRR′ (wherein R and R′ are the same as the above defined R); Y is, for example, CH, CH 2 or C═O; Z is, for example, O, S, S═O or SO 2 ; U is C or N; R 1 to R 4 are each independently, for example, a hydrogen atom, OR, SR (wherein R is the same as defined above), or an aromatic ring, a substituted aromatic ring or a heterocycle; at least one of R 5 and R 8 is, for example, OH and the remaining of R 5 and R 8 are each independently, for example, a hydrogen atom or OH, optical isomers thereof, conjugates thereof or pharmaceutically acceptable salts thereof are provided. These compounds are characterized in having a wide range of pharmacological actions such as an excellent relaxing action of tracheal smooth muscles, an inhibition of airway hypersensitivity and an inhibition of infiltration of inflammatory cells into the airway and, in addition, high safety.

  化学式（1）所代表的化合物，其中X可以是例如CH、CH2、CHR（其中R是较低的烷基或取代的较低烷基）或CRR'（其中R和R'与上述定义的R相同）；Y可以是例如CH、 或C═O；Z可以是例如O、S、S═O或SO2；U可以是C或N；R1到R4可以各自独立地是例如氢原子、OR、SR（其中R与上述定义的相同）或芳香环、取代芳香环或杂环；其中至少一个R5和R8可以是例如OH，而R5和R8的其余部分可以各自独立地是例如氢原子或OH，其光学异构体、共轭体或药学上可接受的盐也提供了。这些化合物具有广泛的药理作用，例如优异的松弛气管平滑肌作用、抑制气道过敏和抑制炎症细胞浸润到气道，并且具有高度的安全性。
• TRACHEAL SMOOTH MUSCLE RELAXANT
  申请人：NIPPON SUISAN KAISHA, LTD.

  公开号：EP0885610A1

  公开（公告）日：1998-12-23

  The present invention offers a tracheal smooth muscle relaxant containing the compound represented by the following formula (1) or pharmacologically acceptable salt thereof as an effective ingredient.    [In the formula, X and Y each is any group selected from a group consisting of CH2, CHW1 (where W1 is halogen atom, hydroxyl group or lower alkoxy group) and C=O when the bond of X and Y is a single bond while, when it is a double bond, X and Y each is any group selected from a group consisting of CH and COW2 (where W2 is lower alkyl group or lower alkylcarbonyl group); Z is O, S, S=O or SO2; and R1∼R8 each is selected from a group consisting of hydrogen atom, VR9 (where V is O, S, S=O or SO2; and R9 is hydrogen atom, lower alkyl group, hydroxy lower alkyl group, lower acyl group, trihalomethyl group or carboxyl lower alkyl group), carboxyl lower alkyl group, hydroxy lower alkyl group, hydroxy lower alkenyl group, hydroxy lower alkynyl group, halogen atom, lower alkyl group, lower alkyl ketone, trihalomethyl group, trimethylsilylethynyl, nitro group, amino group, N-carbonyl lower alkyl group, lower alkylphenyl group and phenyl group].

  本发明提供了一种气管平滑肌松弛剂，其有效成分含有下式(1)所代表的化合物或其药理上可接受的盐。 [式中，当 X 和 Y 的键为单键时，X 和 Y 各为选自 CH2、CHW1（其中 W1 为卤原子、羟基或低级烷氧基）和 C=O 组成的组中的任意基团；而当为双键时，X 和 Y 各为选自 CH 和 COW2（其中 W2 为低级烷基或低级烷基羰基）组成的组中的任意基团；Z是O、S、S=O或SO2；以及 R1∼R8各自选自由氢原子、VR9（其中V是O、S、S=O或SO2；R9为氢原子、低级烷基、羟基低级烷基、低级酰基、三卤甲基或羧基低级烷基）、羧基低级烷基、羟基低级烷基、羟基低级烯基、羟基低级炔基、卤素原子、低级烷基、低级烷基酮、三卤甲基、三甲基硅烷基、硝基、氨基、N-羰基低级烷基、低级烷基苯基和苯基]。
• TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF
  申请人：NIPPON SUISAN KAISHA, LTD.

  公开号：EP1182200B1

  公开（公告）日：2005-08-31