1,2,3,4-四氢-2,6-萘啶 | 31786-18-2

• 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: 1,2,3,4-四氢-2,6-萘啶
• 中文别名: 1,2,3,4-四氢-2,6-二氮杂萘
• 英文名称: 1,2,3,4-tetrahydro-2,6-naphthyridine
• 英文别名: 1,2,3,4-Tetrahydro-2,6-naphthyridin
• CAS: 31786-18-2
• 化学式: C₈H₁₀N₂
• mdl: MFCD08752595
• 分子量: 134.181
• InChiKey: KPZPSEIHRIDPKH-UHFFFAOYSA-N

物化性质

• 沸点：
  80 °C(Press: 0.1 Torr)
• 密度：
  1.068±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 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：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1,2,3,4-Tetrahydro-2,6-naphthyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 1,2,3,4-Tetrahydro-2,6-naphthyridine
CAS number: 31786-18-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C8H10N2
Molecular weight: 134.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,2,3,4-四氢-2,6-萘啶 在 potassium fluoride 、 ammonium hydroxide 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 22.5h， 生成 (S)-6-((1-acetylpiperidin-4-yl)amino)-N-(3-(3,4-dihydro-2,6-naphthyridin-2(1H)-yl)-2-hydroxypropyl)pyrimidine-4-carboxamide
  参考文献：
  名称：

  [EN] PRMT5 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE PRMT5 ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2015200677A8
• 作为产物：
  描述：

  1,4-环己二烯 在 Pd on carbon 氨 、 溶剂黄146 作用下， 以 甲醇 、 乙醇 、 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 为溶剂， 以43%的产率得到1,2,3,4-四氢-2,6-萘啶
  参考文献：
  名称：

  Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition

  摘要：

  本发明提供了一种具有式（I）的化合物，其中R1通常为氢或CF3，R2通常为氢，W为环胺、杂环或具有连接部分L-Y-X的基团，其中L-Y为连接部分，X通常为芳香或非芳香杂环、烷基或烷基羰基，Z通常为杂环，如5-甲基异噁唑-3-基，以及其在增强认知方面的药用盐，例如在阿尔茨海默病等疾病中，包括它们的药物组合物，其用于制造药物和使用它们的治疗方法。

  公开号：

  US20030125333A1

文献信息

• SUBSTITUTED SULFONAMIDE COMPOUNDS
  申请人：OBERBOERSCH Stefan

  公开号：US20080153843A1

  公开（公告）日：2008-06-26

  Substituted sulfonamide derivatives, a process for their preparation, pharmaceutical compositions containing these compounds, and to the use of substituted sulfonamide derivatives in the treatment or inhibition of pain and/or various disorders or disease states.

  磺胺取代物，其制备方法，含有这些化合物的药物组合物，以及磺胺取代物在治疗或抑制疼痛和/或各种疾病或疾病状态中的用途。
• [EN] MACROCYCLIC COMPOUNDS FOR MODULATING IL-17<br/>[FR] COMPOSÉS MACROCYCLIQUES POUR UNE MODULATION D'IL-17
  申请人：ENSEMBLE THERAPEUTICS CORP

  公开号：WO2013116682A1

  公开（公告）日：2013-08-08

  The invention relates generally to macrocyclic compounds of formula I and their therapeutic use. More particularly, the invention relates to macrocyclic compounds that modulate the activity of IL-17 and/or are useful in the treatment of medical conditions, such as inflammatory diseases and other IL-17-associated disorders.

  这项发明通常涉及公式I的大环化合物及其治疗用途。更具体地，该发明涉及调节IL-17活性的大环化合物，或者用于治疗炎症性疾病和其他与IL-17相关的疾病的大环化合物。
• [EN] INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)<br/>[FR] INHIBITEURS DE KINASE CYCLINE-DÉPENDANTE 7 (CDK7)
  申请人：SYROS PHARMACEUTICALS INC

  公开号：WO2015154022A1

  公开（公告）日：2015-10-08

  The present invention provides novel compounds described herein, such as of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases (e.g., cancers (e.g., leukemia, melanoma, multiple myeloma), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of cyclin-dependent kinase 7 (CDK7), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.

  本发明提供了如下所述的新化合物，例如式（I）的化合物，以及其药学上可接受的盐、溶剂化合物、水合物、互变异构体、立体异构体、同位素标记衍生物和其组合物。还提供了涉及这些化合物或组合物用于治疗或预防增生性疾病（例如癌症（例如白血病、黑色素瘤、多发性骨髓瘤）、良性肿瘤、血管生成、炎症性疾病、自身炎症性疾病和自身免疫性疾病）的方法和试剂盒。使用本发明的化合物或组合物治疗患有增生性疾病的受试者可能抑制细胞周期依赖性激酶7（CDK7）的异常活性，从而诱导细胞凋亡和/或抑制受试者的转录。
• [EN] NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS<br/>[FR] NOUVEAUX AGONISTES DU RÉCEPTEUR DE SOMATOSTATINE DE SOUS-TYPE 4 (SSTR4)
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014184275A1

  公开（公告）日：2014-11-20

  The invention relates to 3-aza-bicyclo[3.1.0]hexane-6-carboxylic acid amide derivatives of general formula (I), which are agonists of somatostatin receptor subtype 4 (SSTR4), useful for preventing or treating medical disorders related to SSTR4. In addition, the invention relates to processes for preparing pharmaceutical compositions as well as processes for manufacture of the compounds according to the invention.

  这项发明涉及一般式(I)的3-aza-双环[3.1.0]己烷-6-羧酸酰胺衍生物，它们是生长抑素受体亚型4（SSTR4）的激动剂，用于预防或治疗与SSTR4相关的医学疾病。此外，该发明涉及制备药物组合物的方法，以及根据该发明制备化合物的方法。
• [EN] ARYL AND HETEROARYL-FUSED TETRAHYDRO-1,4-OXAZEPINE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS<br/>[FR] TÉTRAHYDRO-1,4-OXAZÉPINE AMIDES FUSIONNÉES PAR ARYLE ET HÉTÉROARYLE EN TANT QU'AGONISTES DU RÉCEPTEUR DE LA SOMATOSTATINE DE SOUS-TYPE 4 (SSTR4)
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2016075239A1

  公开（公告）日：2016-05-19

  The invention relates to aryl and heteroaryl-fused tetrahydro-1,4-oxazepine amide derivatives of general formula (l),which are agonists of somatostatin receptor subtype 4 (SSTR4), useful for preventing or treating medical disorders related to SSTR4. In addition, the invention relates processes for manufacture of the compounds according to the invention.

  这项发明涉及一般式(l)的芳基和杂环芳基融合的四氢-1,4-噁唑啉酰胺衍生物，这些衍生物是生长抑素受体亚型4（SSTR4）的激动剂，可用于预防或治疗与SSTR4相关的医学疾病。此外，该发明涉及根据该发明制造化合物的工艺。