7-methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine | 60740-69-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 7-methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine
• 英文别名: 7-methyl-2,3,4,5-tetrahydro-1H-benzazepine；7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
• CAS: 60740-69-4
• 化学式: C₁₁H₁₅N
• 分子量: 161.247
• InChiKey: HYZJUAXPTWKBAT-UHFFFAOYSA-N

物化性质

• 沸点：
  282.6±25.0 °C(Predicted)
• 密度：
  0.969±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine 、 N-(4-bromo-2,6-dimethylphenyl)-3,3-dimethylbutanamide 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 甲苯 为溶剂， 以64%的产率得到N-(2,6-dimethyl-4-(7-methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)phenyl)-3,3-dimethylbutanamide
  参考文献：
  名称：

  Design, synthesis and evaluation of novel N-phenylbutanamide derivatives as KCNQ openers for the treatment of epilepsy

  摘要：

  KCNQ (Kv7) has emerged as a validated target for the development of novel anti-epileptic drugs. In this paper, a series of novel N-phenylbutanamide derivatives were designed, synthesized and evaluated as KCNQ openers for the treatment of epilepsy. These compounds were evaluated for their KCNQ opening activity in vitro and in vivo. Several compounds were found to be potent KCNQ openers. Compound 1 with favorable in vitro activity was submitted to evaluation in vivo. Results showed that compound 1 owned significant anti-convulsant activity with no adverse effects. It was also found to posses favorable pharmacokinetic profiles in rat. This research may provide novel potent compounds for the discovery of KCNQ openers in treating epilepsy.

  DOI：

  10.1016/j.bmcl.2018.05.019
• 作为产物：
  描述：

  2-硝基-5-甲基苯甲酸甲酯 在 5% palladium-on-charcoal 吡啶 、 氢氧化钾 、 水 、 氢溴酸 、 氢气 、 sodium hydride 、 potassium carbonate 、 肼 作用下， 以 四氢呋喃 、 DMF (N,N-dimethyl-formamide) 、 水 、 乙二醇 、 溶剂黄146 、 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 84.5h， 生成 7-methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine
  参考文献：
  名称：

  EP1475368

  摘要：

  公开号：

文献信息

• PYRIDINES AND PYRIMIDINES AND USE THEREOF
  申请人：Purdue Pharma L.P.

  公开号：US20170008882A1

  公开（公告）日：2017-01-12

  The present disclosure provides pyridines and pyrimidines of Formula I and pharmaceutically acceptable salts and solvates thereof: wherein A, G, W 1 , W 2 , W 3 , and R 5 are defined as set forth in the specification. The present disclosure also provides uses of the compounds of Formula I and pharmaceutically acceptable salts and solvates thereof. In certain embodiments, Compounds of the present disclosure are useful for treating pain. In another embodiment, Compounds of the present disclosure are useful for treating a disorder responsive to blockade of sodium channels, or alleviating symptoms of the disorder.

  本公开提供了Formula I的吡啶和嘧啶以及其药用可接受的盐和溶剂化合物：其中A、G、W1、W2、W3和R5如规范中所述。本公开还提供了Formula I化合物及其药用可接受的盐和溶剂的用途。在某些实施例中，本公开的化合物对治疗疼痛有用。在另一实施例中，本公开的化合物对治疗对钠通道阻滞有反应的疾病，或缓解该疾病的症状有用。
• PYRIDOPYRIMIDINONE INHIBITORS OF KINASES
  申请人：AbbVie Inc.

  公开号：US20130102590A1

  公开（公告）日：2013-04-25

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein R 1 , R 2 , R 3 , R 4 , and B are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as wee-1 and methods of treating diseases such as cancer.

  本发明涉及式（I）的化合物或药用可接受的盐，其中R1、R2、R3、R4和B在描述中有定义。本发明还涉及含有上述化合物的组合物，用于抑制wee-1等激酶，并治疗癌症等疾病的方法。
• Vasopressin V1a Antagonists
  申请人：Batt Andrzej Roman

  公开号：US20090029965A1

  公开（公告）日：2009-01-29

  The present invention concerns compounds inter alia according to general formula 1 a . Compounds according to the invention are vasopressin V 1a receptor antagonists. Pharmaceutical compositions of the compounds are useful as treatment of dysmenorrhoea.

  本发明涉及一些化合物，其中包括一般式1a所示的化合物。根据本发明的化合物是抗利尿激素V1a受体拮抗剂。该化合物的制药组合物可用于治疗痛经。
• PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES
  申请人：AbbVie Inc.

  公开号：US20140296220A1

  公开（公告）日：2014-10-02

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein B, R 1 , R 2 , R 4 , and m are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as wee-1 and methods of treating diseases such as cancer.

  本发明涉及化合物(I)或药物可接受的盐，其中B、R1、R2、R4和m在说明中有定义。本发明还涉及含有所述化合物的组合物，其对抑制激酶如wee-1有用，以及治疗癌症等疾病的方法。
• N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1475368A1

  公开（公告）日：2004-11-10

  The present invention relates to the compound presented by formula (I) (wherein all symbols in formula (I) are the same mean as the description shown in the specification.), mitocondorial benzogeazepin receptor (MBR) antagonist comprising the compound, the preventive and/or treatment medicine against diseases caused by stress of which an active ingredient is the compound. Since the compound represented by formula (I) has MBR antagonistic activity, and controls the production of neurosteroid, it is useful as the preventive and/or treatment medicine against diseases caused by stress.

  本发明涉及由式(I)表示的化合物（式(I)中的所有符号与说明书中的描述相同。 (其中式(I)中的所有符号与说明书中的描述含义相同。)、由该化合物组成的丝裂原苯并氮杂卓受体(MBR)拮抗剂、预防和/或治疗由压力引起的疾病的药物，其有效成分为该化合物。 由于式 (I) 所代表的化合物具有 MBR 拮抗活性，并能控制神经类固醇的产生，因此可用作预防和/或治疗由压力引起的疾病的药物。