3-(tert-butoxycarbonylamino)-2,3-dihydro-5H-1,5-benzoxazepin-4-one | 239097-68-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3-(tert-butoxycarbonylamino)-2,3-dihydro-5H-1,5-benzoxazepin-4-one
• 英文别名: (S)-3-(tert-butoxycarbonylamino)-2,3-dihydro-1,5(5H)-benzoxazepin-4-one；3(S)-tert-butoxycarbonylamino-2,3,4,5-tetrahydro-1,5-benzoxazepine-4-one；D-3-t-butoxycarbonyl-amino-2,3-dihydro-1,5-benzoxazepin-4(5H)-one；tert-Butyl (4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate；tert-butyl N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)carbamate
• CAS: 239097-68-8
• 化学式: C₁₄H₁₈N₂O₄
• 分子量: 278.308
• InChiKey: STPHEUUFTOGKNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(tert-butoxycarbonylamino)-2,3-dihydro-5H-1,5-benzoxazepin-4-one 在 盐酸 、 氢氧化钾 、 四丁基溴化铵 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 2.5h， 生成 3-amino-5-N-(3-(3-isopropylureido)benzyl)-2,3-dihydro-5H-1,5-benzoxazepin-4-one
  参考文献：
  名称：

  1,3-Disubstituted Benzazepines as Novel, Potent, Selective Neuropeptide Y Y1 Receptor Antagonists

  摘要：

  A novel series of potent and selective non-peptide neuropeptide Y (NPY) Y1 receptor antagonists, having benzazepine nuclei, have been designed, synthesized, and evaluated for activity. Chemical modification of the R-1 and R-3 substituents in structure 1 (Chart 1) yields several compounds that show high affinity for the Y1 receptor (K-i values of less than 10 nM). SAR studies revealed that introduction of an isopropylurea group at R-1 and a 3-(benzo-condensed-urea) group, 3-(fluorophenylurea) group, or a 3-(N-(4-hydroxyphenyl)guanidine) group at R-3 in structure 1 afforded potent and subtype-selective NPY Y1 receptor antagonists. 3-(3-(Benzothiazol-6-yl)ureido)-1-N-(3-(N'-(3-isopropylureido))benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one (21), which was one of the most potent derivatives, competitively inhibited specific [I-125]peptide YY (PW) binding to Y1 receptors in human neuroblastoma SK-N-MC cells (K-i = 5.1 nM). 21 not only inhibited the Y1 receptor-mediated increase in cytosolic free Ca2+ concentration in SK-N-MC cells but also antagonized the Y1 receptor-mediated inhibitory effect of peptide YY on gastrin-induced histamine release in rat enterochromaffin-like cells. 21 showed no significant affinity in 17 receptor binding assays including Y2, Y4, and Y5 receptors.

  DOI：

  10.1021/jm990044m
• 作为产物：
  描述：

  (2S)-3-(2-aminophenoxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid 以84的产率得到3-(tert-butoxycarbonylamino)-2,3-dihydro-5H-1,5-benzoxazepin-4-one
  参考文献：
  名称：

  HETEROCYCLIC AMIDES AS KINASE INHIBITORS

  摘要：

  本发明涉及具有以下结构式的化合物：其中X、Y、Z1、Z2、Z3、Z4、R5、RA、m、A、L和B如本文所定义，以及制备和使用它们的方法。

  公开号：

  US20170183332A1

文献信息

• [EN] SUBSTITUTED HETERO-AZEPINONES<br/>[FR] HÉTÉRO-AZÉPINONES SUBSTITUÉES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014023708A1

  公开（公告）日：2014-02-13

  There are provided compounds of the formula (1) wherein W, X, Y, Z, R1, R2, R3, R4, R5 and R6 are described herein. These compounds are useful for the treatment of proliferative diseases, including cancer.

  提供了符合式（1）的化合物，其中W、X、Y、Z、R1、R2、R3、R4、R5和R6如本文所述。这些化合物对于治疗增殖性疾病，包括癌症，是有用的。
• Malonamide derivatives
  申请人：Flohr Alexander

  公开号：US20060122168A1

  公开（公告）日：2006-06-08

  The invention relates to compounds of the formula I wherein R, R 1 , R 2 , R 3 , X, and n are defined in the specification. The invention also provides pharmaceutically suitable acid addition salts thereof and all forms of optically pure enantiomers, recemates or diastereomers and diastereomeric mixtures thereof. Compounds of the invention are useful for the treatment of Alzheimer's disease.

  本发明涉及具有以下结构的化合物，其中R、R1、R2、R3、X和n在规范中有定义。本发明还提供了这些化合物的药用合适的酸盐以及所有形式的光学纯对映体、复旋体或二对映体和它们的对映异构体混合物。本发明的化合物对治疗阿尔茨海默病有用。
• Benzothiazepine and benzoxazepine derivatives as cholecystokinin
  申请人：Pfizer, Inc.

  公开号：US05618808A1

  公开（公告）日：1997-04-08

  The present invention relates to novel substituted benzothiazepines and benzoxazepines of the formula ##STR1## wherein R.sup.1, R.sup.2, R.sup.7, R.sup.8, R.sup.9 and X are as defined below, and to novel intermediates used in the synthesis of such compounds. Such compounds are useful in the treatment and prevention of gastrointestinal disorders, pain and anxiety disorders.

  本发明涉及新型的取代苯并噻二唑和苯并噁唑的化合物，其化学式为##STR1##其中R.sup.1、R.sup.2、R.sup.7、R.sup.8、R.sup.9和X的定义如下，并涉及用于合成此类化合物的新型中间体。这些化合物在治疗和预防胃肠道疾病、疼痛和焦虑症方面具有用途。
• Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers
  申请人：Hoyt Scott B.

  公开号：US20100144715A1

  公开（公告）日：2010-06-10

  The present invention is directed to substituted benzodiazepinones, benzoxazepinones and benzothiazepinones compounds that are sodium channel blockers useful for the treatment of chronic and neuropathic pain. The compounds of the present invention are also useful for the treatment of other conditions, including disorders of the CNS such as anxiety, depression, epilepsy, manic depression and bipolar disorder. This invention also provides pharmaceutical compositions comprising a compound of the present invention, either alone, or in combination with one or more therapeutically active compounds, and a pharmaceutically acceptable carrier. This invention further comprises methods for the treatment of acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain and disorders of the CNS including, but not limited to, epilepsy, manic depression, depression, anxiety and bipolar disorder comprising administering the compounds and pharmaceutical compositions of the present invention.

  本发明涉及替代苯二氮平酮、苯并噁唑酮和苯并噻唑酮化合物，它们是钠通道阻滞剂，可用于治疗慢性和神经病理性疼痛。本发明的化合物也可用于治疗其他疾病，包括中枢神经系统紊乱，如焦虑、抑郁、癫痫、躁郁症和双相障碍。本发明还提供了含有本发明化合物的药物组合物，可以单独使用或与一个或多个治疗活性化合物组合使用，并与药学上可接受的载体一起使用。本发明还包括治疗急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛、神经病理性疼痛和中枢神经系统紊乱的方法，包括但不限于癫痫、躁郁症、抑郁症、焦虑症和双相障碍，通过给予本发明的化合物和药物组合物进行治疗。
• SUBSTITUTED HETERO-AZEPINONES
  申请人：Hoffman-La Roche Inc.

  公开号：US20150361059A1

  公开（公告）日：2015-12-17

  There are provided compounds of the formula wherein: V, W, X, Y, Z, R1, R2, R3, R4, R5 and R6 are described herein. The compounds are useful for the treatment of proliferative diseases, including cancer.

  提供的化合物的公式如下： 其中：V、W、X、Y、Z、R1、R2、R3、R4、R5和R6如本文所述。这些化合物对于治疗增殖性疾病，包括癌症，是有用的。