5,6,7,8-四氢-1,6-萘啶-2(1H)-酮 | 676994-64-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 5,6,7,8-四氢-1,6-萘啶-2(1H)-酮
• 英文名称: 1,2,5,6,7,8-hexahydro-1,6-naphthyridin-2-one
• 英文别名: 2-oxo-1,5,7,8-tetrahydro-2H-[1,6]naphthyridine；5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one；5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
• CAS: 676994-64-2
• 化学式: C₈H₁₀N₂O
• mdl: MFCD10575012
• 分子量: 150.18
• InChiKey: JCJJNHQIUYSATB-UHFFFAOYSA-N

物化性质

• 沸点：
  450.8±45.0 °C(Predicted)
• 密度：
  1.22

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  5,6,7,8-四氢-1,6-萘啶-2(1H)-酮 在 溴 、 potassium carbonate 、 溶剂黄146 作用下， 以 氯仿 、 水 为溶剂， 反应 17.0h， 生成 tert-butyl 3-bromo-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
  参考文献：
  名称：

  A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors

  摘要：

  The epigenetic regulator CBP/P300 presents a novel therapeutic target for oncology. Previously, we disclosed the development of potent and selective CBP bromodomain inhibitors by first identifying pharmacophores that bind the KAc region and then building into the LPF shelf. Herein, we report the "hybridization" of a variety of KAc-binding fragments with a tetrahydroquinoline scaffold that makes optimal interactions with the LPF shelf, imparting enhanced potency and selectivity to the hybridized ligand. To demonstrate the utility of our hybridization approach, two analogues containing unique Asn binders and the optimized tetrahydroquinoline moiety were rapidly optimized to yield single-digit nanomolar inhibitors of CBP with exquisite selectivity over BRD4(1) and the broader bromodomain family.

  DOI：

  10.1021/acs.jmedchem.7b01372
• 作为产物：
  描述：

  6-苄基-5,6,7,8-四氢-1,6-萘啶-2(1H)-酮 在 氢氧化钯 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、45.96 MPa 条件下， 反应 16.0h， 生成 5,6,7,8-四氢-1,6-萘啶-2(1H)-酮
  参考文献：
  名称：

  Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues

  摘要：

  提供了公式中所述变量的哌嗪氧代烷基四氢异喹啉及相关类似物，这些化合物可用于体内或体外调节组胺H3受体的配体结合，并且在治疗人类、家畜伴侣动物和畜禽等各种中枢神经系统（CNS）和其他疾病方面特别有用。本文提供的化合物可以单独或与一种或多种其他CNS药剂联合使用，以增强其他CNS药剂的效果。本文提供了用于治疗此类疾病的制药组合物和方法，以及使用这些配体检测组胺H3受体的方法（例如受体定位研究）。

  公开号：

  US07795262B2

文献信息

• [EN] TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS<br/>[FR] TÉTRAHYDRONAPHTHYRIDINES ET SES DÉRIVÉS AZA À TITRE D'ANTAGONISTES DES RÉCEPTEURS D'HISTAMINE H3
  申请人：EVOTEC NEUROSCIENCES GMBH

  公开号：WO2009121812A1

  公开（公告）日：2009-10-08

  The invention relates to compounds of formula (I), wherein X1a, X1 to X5, Ra, Rb, n and R have the meaning as cited in the description and the claims. Said compounds are useful as Histamine H3 receptor antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  该发明涉及式(I)的化合物，其中X1a，X1至X5，Ra，Rb，n和R的含义如描述和权利要求中所述。所述化合物可用作组胺H3受体拮抗剂。该发明还涉及药物组合物，以及制备此类化合物的方法，以及作为药物的生产和使用。
• 신규 오토탁신 저해 화합물 및 이를 함유하는 약제학적 조성물
  申请人：LEGOCHEM BIOSCIENCES, INC. 주식회사 레고켐 바이오사이언스(120060498483) Corp. No ▼ 160111-0206866BRN ▼314-81-82268

  公开号：KR101798840B1

  公开（公告）日：2017-11-17

  본 발명은 오토탁신의 활성화 또는 리소포스파티드산의 농도 증가에 의한 병태 또는 질환의 치료 및 예방을 위한 신규 오토탁신 저해 화합물 및 이를 함유하는 약제학적 조성물에 관한 것이다. 본 발명의 신규 화합물은 오토탁신 저해제로, 리소포스파티드산의 생성을 저해함으로서, 심혈관 질환, 암, 대사성 질환, 신장 질환, 간 질환, 염증성 질환, 신경계 질환, 호흡계 질환, 섬유성 질병, 안구 질환, 담즙울체성 형태 및 다른 형태의 만성소양증 또는 급성 또는 만성 장기 이식 거부반응의 치료 또는 예방에 유용하다.

  本发明涉及用于治疗或预防由自噬活化或增加的氧化磷酸化酸浓度引起的病症或疾病的新自噬抑制剂及其含有药剂学组合物。本发明的新化合物作为自噬抑制剂，通过抑制氧化磷酸化酸的生成，对心血管疾病、癌症、代谢性疾病、肾脏疾病、肝脏疾病、炎症性疾病、神经系统疾病、呼吸系统疾病、纤维性疾病、眼科疾病、糖尿病性视网膜病变及其他形式的慢性肾病或急性或慢性器官移植排斥反应的治疗或预防有益。
• NOVEL COMPOUNDS
  申请人：Gottschling Dirk

  公开号：US20110021500A1

  公开（公告）日：2011-01-27

  The present invention relates to new CGRP-antagonists of general formula I wherein U, V, X, Y, R 1 , R 2 , R 3 and R 4 are defined as in the description, the tautomers, the isomers, the diastereomers, the enantiomers, the hydrates, the mixtures thereof and the salts thereof and the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, medicaments containing these compounds, their use and processes for preparing them.

  本发明涉及一般式I的新的CGRP拮抗剂，其中U、V、X、Y、R1、R2、R3和R4如描述中所定义，其互变异构体、同分异构体、对映异构体、立体异构体、水合物、其混合物及其盐以及盐的水合物，特别是其与无机或有机酸或碱的生理上可接受的盐，含有这些化合物的药物、它们的用途以及制备它们的方法。
• Pyrid-2-one derivatives and methods of use
  申请人：——

  公开号：US20040147561A1

  公开（公告）日：2004-07-29

  Selected compounds are effective for treatment of diseases, such as cell proliferation or apoptosis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable derivatives thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving stroke, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  所选化合物对于治疗疾病，如细胞增殖或凋亡介导的疾病，具有有效性。该发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的衍生物，以及用于预防和治疗涉及中风、癌症等疾病和其他疾病或病况的药物组合物和方法。该主题发明还涉及制备此类化合物的方法，以及在这些过程中有用的中间体。
• [EN] PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS<br/>[FR] PYRAZOLE AMIDES DESTINES AU TRAITEMENT D'INFECTIONS PAR LE VIH
  申请人：PFIZER LTD

  公开号：WO2004029051A1

  公开（公告）日：2004-04-08

  This invention relates to pyrazole derivatives of formula (I) or pharmaceutically acceptable salts, solvates or derivative thereof, wherein R' to R4, n W, X and Y are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation of, compositions containing them and the uses of such derivatives. The compounds of the present invention bind to the enzyme reverse transcriptase and are modulators, especially inhibitors thereof. As such the compounds of the present invention are useful ín the treatment of a variety of disorders including those in which the inhibition of reverse transcriptase is implicated. Disorders of interest include those caused by Human Immunodificiency Virus (HIV) and genetically related retroviruses, such as Acquired Immune Deficiency Syndrome (AIDS).

  这项发明涉及式(I)的吡唑衍生物或其药用可接受的盐、溶剂或衍生物，其中R'到R4、n、W、X和Y在描述中有定义，并涉及其制备方法、用于制备它们的中间体、含有它们的组合物以及这些衍生物的用途。本发明的化合物结合到酶逆转录酶上，并且是其调节剂，特别是其抑制剂。因此，本发明的化合物在治疗各种疾病中是有用的，包括那些逆转录酶抑制被牵涉其中的疾病。感兴趣的疾病包括由人类免疫缺陷病毒（HIV）和遗传相关的逆转录病毒引起的疾病，如获得性免疫缺陷综合症（AIDS）。