(E)-5-methoxy-2,3,6,7-tetrahydro-1,4-oxazepine | 384330-36-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (E)-5-methoxy-2,3,6,7-tetrahydro-1,4-oxazepine
• 英文别名: 5-methoxy-2,3,6,7-tetrahydro[1,4]oxazepine；5-Methoxy-2,3,6,7-tetrahydro-1,4-oxazepine
• CAS: 384330-36-3
• 化学式: C₆H₁₁NO₂
• 分子量: 129.159
• InChiKey: XQICQNFSVCHSCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  30.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-5-methoxy-2,3,6,7-tetrahydro-1,4-oxazepine 在 氯化铵 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 [1,4]Oxazepan-5-ylideneamine
  参考文献：
  名称：

  Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase

  摘要：

  The potency and selectivity of a series of 5-hetero-2-iminohexahydroazepines were examined as inhibitors or the three human NOS isoforms. The effect or ring substitution of the 5-carbon for a heteroatom is presented. Potencies (IC50's) for these inhibitors are in the low micromolar range for hi-NOS with some examples exhibiting a 500x selectivity versus hec-NOS. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00523-6
• 作为产物：
  描述：

  1,4-氧代氮杂烷-5-酮 、 硫酸二甲酯 反应 0.08h， 生成 (E)-5-methoxy-2,3,6,7-tetrahydro-1,4-oxazepine
  参考文献：
  名称：

  [EN] SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES
  [FR] DÉRIVÉS D'IMIDAZOHÉTÉROCYCLE SUBSTITUÉS

  摘要：

  公开号：

  WO2010068520A3

文献信息

• MODULATORS OF COMPLEX I
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20210061761A1

  公开（公告）日：2021-03-04

  The present invention describes compounds modulating the function of mitochondrial complex I (NADH-quinone oxidoreductase) having formula (I)

  本发明描述了调节线粒体复合物I（NADH-喹啉醌氧化还原酶）功能的化合物，其化学式为（I）。
• Tetrahydroimidazo(1,5-D)[1,4]Oxazepine Derivative
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US20140243316A1

  公开（公告）日：2014-08-28

  A compound represented by the following formula (I) or a pharmaceutically acceptable salt thereof works as an mGluR2 antagonist, and is applicable as a therapeutic agent for neurological disorders related to glutamate dysfunction and diseases involving the mGluR2, such as Alzheimer's disease: wherein R is a hydrogen atom, a C 1-6 alkyl group or the like, R 1 is a C 1-6 alkyl group, a C 1-6 alkoxy group or the like, R 2 is a halogen atom, a C 1-6 alkyl group, a C 1-6 alkoxy group or the like, R 3 is a hydrogen atom, a C 1-6 alkyl group or the like, and R 4 is a C 1-6 alkyl group or the like.

  以下公式（I）表示的化合物或其药用可接受盐作为mGluR2拮抗剂，可用作治疗与谷氨酸功能障碍相关的神经疾病和涉及mGluR2的疾病，如阿尔茨海默病：其中R是氢原子、C1-6烷基或类似物，R1是C1-6烷基、C1-6甲氧基或类似物，R2是卤素原子、C1-6烷基、C1-6甲氧基或类似物，R3是氢原子、C1-6烷基或类似物，R4是C1-6烷基或类似物。
• Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof
  申请人：Hardy Larry Wendell

  公开号：US20110319380A1

  公开（公告）日：2011-12-29

  Provided herein are compounds and methods of synthesis thereof. The compounds set forth herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, neurodegenerative disorders, neuropsychiatric disorders, disorders of cognition, learning or memory, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds set forth herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.

  本文提供了化合物及其合成方法。本文中提供的化合物可用于治疗、预防和/或管理各种疾病，如神经系统疾病、神经退行性疾病、神经精神疾病、认知、学习或记忆障碍、胃肠道疾病、下尿路障碍和癌症。本文提供的化合物在中枢神经系统或外周调节代谢性谷氨酸受体5(mGluR5)的活性。本文还提供了含有这些化合物的药物制剂及其使用方法。
• SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES
  申请人：O'Connor Stephen J.

  公开号：US20120015930A1

  公开（公告）日：2012-01-19

  The present invention provides substituted imidazoheterocycles having the general structure of formula I: wherein Y is chosen from —O—, —OCR g R h —, —CR g R h O—, —CR g R h —, —(CR g R h ) 2 —, —NR i —, —CR g R h NR i — and —NR i CR g R h —. Also provided are pharmaceutically acceptable salts, acid salts, hydrates, solvates and stereoisomers of the compounds of formula I. The compounds are useful as modulators of cannabinoid receptors and for the prophylaxis and treatment of cannabinoid receptor-associated diseases and conditions, such as pain, inflammation and pruritis.

  本发明提供了具有公式I的一般结构的取代咪唑杂环化合物，其中Y从—O—，—OCRgRh—，—CRgRhO—，—CRgRh—，—（CRgRh）2—，—NRi—，—CRgRhNRi—和—NRiCRgRh—中选择。此外，还提供了公式I化合物的药学上可接受的盐、酸盐、水合物、溶剂物和立体异构体。这些化合物可用作大麻素受体调节剂，并用于预防和治疗与大麻素受体相关的疾病和病症，例如疼痛、炎症和瘙痒。
• Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof
  申请人：Hardy Larry Wendell

  公开号：US08772301B2

  公开（公告）日：2014-07-08

  Provided herein are compounds and methods of synthesis thereof. The compounds set forth herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, neurodegenerative disorders, neuropsychiatric disorders, disorders of cognition, learning or memory, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds set forth herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.

  本文提供了化合物及其合成方法。本文中所述的化合物可用于治疗、预防和/或管理各种疾病，如神经系统疾病、神经退行性疾病、神经精神疾病、认知、学习或记忆障碍、胃肠道疾病、下尿路障碍和癌症。本文中所述的化合物在中枢神经系统或外周调节代谢型谷氨酸受体5（mGluR5）的活性。本文还提供了含有这些化合物的药物制剂及其使用方法。