10,11-dihydro-dibenz[b,f]oxepin-10-carboxylic acid | 109342-71-4

• 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-dihydro-dibenz[b,f]oxepin-10-carboxylic acid
• 英文别名: 10,11-Dihydro-dibenz[b,f]oxepin-10-carbonsaeure；10,11-dihydro-dibenzo[b,f]oxepine-10-carboxylic acid；10,11-Dihydrodibenzo[b,f]oxepine-10-carboxylic acid；5,6-dihydrobenzo[b][1]benzoxepine-5-carboxylic acid
• CAS: 109342-71-4
• 化学式: C₁₅H₁₂O₃
• 分子量: 240.258
• InChiKey: RDHJLWNPUBZVEH-UHFFFAOYSA-N

物化性质

• 熔点：
  186 °C(Solv: benzene (71-43-2))
• 沸点：
  417.4±44.0 °C(Predicted)
• 密度：
  1.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099
• 储存条件：
  2-8°C，干燥且密封保存。

反应信息

• 作为反应物：
  描述：

  正己胺 、 10,11-dihydro-dibenz[b,f]oxepin-10-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.5h， 以54%的产率得到10,11-dihydro-dibenzo[b,f]oxepine-10-carboxylic acid hexylamide
  参考文献：
  名称：

  [EN] COUMPOUNDS MODULATING THE ACTIVITY OF GAPDH AND/OR IAMT
  [FR] COMPOSES MODULANT L'ACTIVITE DE GAPDH ET/OU DE L'IAMT

  摘要：

  小说化合物及其用于调节L-异天冬氨酸(D-天冬氨酸) 0-甲基转移酶和/或甘油醛-3-磷酸脱氢酶活性，可预防、治疗或缓解糖尿病、自身免疫疾病和神经退行性疾病。化合物可为以下任一式I - IV：

  公开号：

  WO2004039773A2
• 作为产物：
  描述：

  二苯并[b,f]氧杂卓-10-羧酸 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以100%的产率得到10,11-dihydro-dibenz[b,f]oxepin-10-carboxylic acid
  参考文献：
  名称：

  [EN] COUMPOUNDS MODULATING THE ACTIVITY OF GAPDH AND/OR IAMT
  [FR] COMPOSES MODULANT L'ACTIVITE DE GAPDH ET/OU DE L'IAMT

  摘要：

  小说化合物及其用于调节L-异天冬氨酸(D-天冬氨酸) 0-甲基转移酶和/或甘油醛-3-磷酸脱氢酶活性，可预防、治疗或缓解糖尿病、自身免疫疾病和神经退行性疾病。化合物可为以下任一式I - IV：

  公开号：

  WO2004039773A2

文献信息

• Tricyclic Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease
  申请人：Nanternet Philippe G.

  公开号：US20090182021A1

  公开（公告）日：2009-07-16

  The present invention is directed to tricyclic compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及三环化合物，它们是β-分泌酶的抑制剂，并且在治疗β-分泌酶参与的疾病，如阿尔茨海默病中有用。该发明还涉及包含这些化合物的药物组合物，以及在治疗β-分泌酶参与的这类疾病中使用这些化合物和组合物。
• Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof
  申请人：Auberson Yves

  公开号：US20070111991A1

  公开（公告）日：2007-05-17

  The present invention pertains to novel dibenzo[b,f]oxepine-10-carboxamides compound to a process for the preparation of such compounds of formula I, their use as a pharmaceuticals, especially in the treatment of neurological and vascular disorders related to beta-amyloid generation and/or aggregation, and to pharmaceutical compositions and combinations comprising such compounds of formula I.

  本发明涉及一种新的二苯并[b,f]噁喹啉-10-羧酰胺化合物，以及制备该式I化合物的方法，其在药物学中的应用，尤其是在与β-淀粉样蛋白生成和/或聚集有关的神经和血管疾病的治疗中的应用，以及包含该式I化合物的药物组合物和制剂。
• NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF
  申请人：Novartis AG

  公开号：EP1651592A2

  公开（公告）日：2006-05-03
• US7612054B2
  申请人：——

  公开号：US7612054B2

  公开（公告）日：2009-11-03
• [EN] NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF<br/>[FR] NOUVEAUX DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES ET UTILISATIONS PHARMACEUTIQUES DE CES COMPOSES
  申请人：NOVARTIS AG

  公开号：WO2005014517A2

  公开（公告）日：2005-02-17

  The present invention pertains to compounds of formula (I) wherein X is O, NH, N(C1-4)alkyl, CO or CHOH, Y is CH or N, A and B are each hydrogen or together form a second bond between the carbon atoms to which they are attached, R1 is hydrogen or (C1-4)alkyl, R2 is optionally substituted (C1-8)alkyl, (C3-7)cycloalkyl, (C3-7)cycloalkyl(C1-4)alkyl, aryl or heteroaryl, R3 is CH(Re)CONRaRb or (CH2)nNRc,Rd, n is 0, 1 or 2, Ra, Rb, Rc and Rd, independently, are hydrogen or optionally substituted (C1-8)alkyl, (C3-7)cycloalkyl, (C3-7)cycloalkyl(C1-4)alkyl, (C7-9)bicycloalkyl, 1-aza-(C7-9)bicycloalkyl, aryl, aryl(C1-4)alkyl, heteroaryl, heteroaryl(C1-4)alkyl or heterocyclyl, or Ra, Rb, Rc and Rd, together with the nitrogen to which they are attached, form an optionally substituted pyrrolidinyl, piperidino, morpholino or piperazinyl group, Re is (C1-8)alkyl, (C1-4)alkoxy(C1-4)alkyl, (C3-7)cycloalkyl or (C3-7)cycloalkyl(C1-4)alkyl, and R4, R5, R6, R7, R8 and R9, independently, are hydrogen, (C1-4)alkyl, (C1-4)alkoxy, (C1-4)alkyl-SO2, cyano, nitro or halogen; to a process for the preparation of such compounds of formula (I), their use as a pharmaceuticals, especially in the treatment of neurological and vascular disorders related to beta-­amyloid generation and/or aggregation, and to pharmaceutical compositions and combinations comprising such compounds of formula (I).