[1,8]萘啶-2-甲醛 | 64379-45-9

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 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: [1,8]萘啶-2-甲醛
• 中文别名: [1,8]萘吡啶-2-甲醛
• 英文名称: 1,8-naphthyridine-2-carbaldehyde
• 英文别名: 1,8-naphthyridine-2-carboxaldehyde；1,8-naphthyridine-2-aldehyde；1,8-naphthyridin-2-carbaldehyde
• CAS: 64379-45-9
• 化学式: C₉H₆N₂O
• mdl: MFCD04971934
• 分子量: 158.159
• InChiKey: TXEQVJDZTRPUKO-UHFFFAOYSA-N

物化性质

• 熔点：
  138 °C
• 沸点：
  331.3±22.0 °C(Predicted)
• 密度：
  1.299±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090
• 危险性防范说明：
  P233,P260,P261,P264,P271,P280,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存放在2-8°C的环境中，需要保持干燥并密封。

SDS

Name:	[1 8]Naphthyridine-2-carbaldehyde Material Safety Data Sheet
Synonym:	None Known
CAS:	64379-45-9

Section 1 - Chemical Product MSDS Name:[1 8]Naphthyridine-2-carbaldehyde Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
64379-45-9	[1,8]Naphthyridine-2-carbaldehyde	97+	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38 42

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin. May cause sensitization by inhalation.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. Harmful if inhaled. May cause respiratory sensitization.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 64379-45-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 137-141 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H6N2O
Molecular Weight: 158.16

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 64379-45-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
[1,8]Naphthyridine-2-carbaldehyde - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
R 42 May cause sensitization by inhalation.
Safety Phrases:
S 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 64379-45-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64379-45-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64379-45-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  [1,8]萘啶-2-甲醛 以 二氯甲烷 为溶剂， 生成 (S)-2-{[([1,8]naphthyridin-3-ylmethyl)-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Substituted arylamides

  摘要：

  提供了替代苯甲酰胺化合物以及使用这些化合物治疗癌症的方法。

  公开号：

  US20060074071A1
• 作为产物：
  描述：

  2-氨基-6-甲基吡啶 在 ferrous(II) sulfate heptahydrate 、 硫酸 、 硼酸 、 tin(IV) oxide 、 sodium 3-nitrobenzenesulfonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 8.0h， 生成 [1,8]萘啶-2-甲醛
  参考文献：
  名称：

  一种高选择性成纤维细胞生长因子受体抑制剂和应用

  摘要：

  本发明公开了一种高选择性成纤维细胞生长因子受体抑制剂和应用,具体涉及式(I)所示化合物或其药学上可接受的盐、溶剂化物、几何异构体、立体异构体、互变异构体及其任何混合物。本发明的具有式(I)所示化合物或其药学上可接受的盐、溶剂化物及其药用组合物可应用于预防或治疗与FGFR4活性或过量表达相关的疾病，也可以和其它药物联合使用用于治疗各种相关疾病，尤其是用于治疗各种癌症，所述癌症可以是肝癌、肺癌、胃癌、乳腺癌、卵巢癌、前列腺癌、肾细胞癌、皮肤癌、结肠癌、胆管癌、胶质瘤或肉瘤。

  公开号：

  CN113072550B

文献信息

• Aminopyrimidine Kinase Inhibitors
  申请人：Baldino Carmen M.

  公开号：US20110152235A1

  公开（公告）日：2011-06-23

  Disclosed are compounds, pharmaceutical compositions containing those compounds, and uses of the compounds and compositions as modulators of casein kinase 1 (e.g., CK1γ), casein kinase 2 (CK2), Pim 1, Pim2, Pim3, the TGFβ pathway, the Wnt pathway, the JAK/STAT pathway, and/or the mTOR pathway. Uses are also disclosed for the treatment or prevention of a range of therapeutic indications due at least in part to aberrant physiological activity of casein kinase 1 (e.g., CK1γ), casein kinase 2 (CK2), Pim 1, Pim2, Pim3, the TGFβ pathway, the Wnt pathway, the JAK/STAT pathway, and/or the mTOR pathway.

  揭示了化合物、含有这些化合物的药物组合物，以及这些化合物和组合物作为酪蛋白激酶1（例如CK1γ）、酪蛋白激酶2（CK2）、Pim 1、Pim2、Pim3、TGFβ途径、Wnt途径、JAK/STAT途径和/或mTOR途径调节剂的用途。还揭示了用于治疗或预防一系列治疗适应症的用途，至少部分原因是由于酪蛋白激酶1（例如CK1γ）、酪蛋白激酶2（CK2）、Pim 1、Pim2、Pim3、TGFβ途径、Wnt途径、JAK/STAT途径和/或mTOR途径的异常生理活性。
• [EN] GLYCOSIDASE INHIBITORS<br/>[FR] INHIBITEURS DE GLYCOSIDASES
  申请人：ASCENEURON S A

  公开号：WO2017144633A1

  公开（公告）日：2017-08-31

  Compounds of formula (I) wherein A, R, W, Q, n and m have the meaning according to the claims can be employed, inter alia, for the treatment of tauopathies and Alzheimer's disease.

  式(I)中A、R、W、Q、n和m的含义如权利要求书所述，可用于治疗tau病和阿尔茨海默病。
• Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality
  作者：Indranil Dutta、Sudhir Yadav、Abir Sarbajna、Subhabrata De、Markus Hölscher、Walter Leitner、Jitendra K. Bera

  DOI：10.1021/jacs.8b05009

  日期：2018.7.18

  A ruthenium(II) complex bearing a naphthyridine-functionalized pyrazole ligand catalyzes oxidant-free and acceptorless selective double dehydrogenation of primary amines to nitriles at moderate temperature. The role of the proton-responsive entity on the ligand scaffold is demonstrated by control experiments, including the use of a N-methylated pyrazole analogue. DFT calculations reveal intricate hydride

  带有萘啶官能化吡唑配体的钌 (II) 配合物在中等温度下催化伯胺无氧化剂和无受体选择性双脱氢为腈。质子响应实体在配体支架上的作用由对照实验证明，包括使用 N-甲基化吡唑类似物。DFT 计算揭示了复杂的氢化物和质子转移，以实现 2 当量 H2 的整体消除。
• Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors
  申请人：Bosch Michael

  公开号：US20080269170A1

  公开（公告）日：2008-10-30

  The disclosure relates to compounds of formula (I): wherein R1-R5, A and Y are as defined in the disclosure, to compositions comprising said compounds, and to processes for making and methods of using the same.

  该披露涉及到式(I)的化合物：其中R1-R5、A和Y如披露中所定义，以及包含该化合物的组合物，以及制备该化合物的方法和使用该化合物的方法。
• [EN] BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS BICYCLIQUES PONTÉS POUR LE TRAITEMENT DES INFECTIONS BACTÉRIENNES
  申请人：KYORIN SEIYAKU KK

  公开号：WO2013003383A1

  公开（公告）日：2013-01-03

  Novel bridged bicyclic compounds are disclosed herein, along with their pharmaceutically acceptable salts, hydrates and prodrugs. Also disclosed are compositions comprising such compounds, methods of preparing such compounds and methods of using such compounds as antibacterial agents. The disclosed compounds, their pharmaceutically acceptable salts, hydrates and prodrugs, as well as compositions comprising such compounds, salts, hydrates and prodrugs, are useful for treating bacterial infections and associated diseases and conditions.

  本文披露了新型桥环双环化合物，以及它们的药用盐、水合物和前药。还披露了包含这些化合物的组合物，制备这些化合物的方法以及将这些化合物用作抗菌剂的方法。所披露的化合物、其药用盐、水合物和前药，以及包含这些化合物、盐、水合物和前药的组合物，可用于治疗细菌感染及相关疾病和症状。