6-甲基-3-氨基哒嗪 | 18591-82-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 6-甲基-3-氨基哒嗪
• 中文别名: 3-氨基-6-甲基哒嗪
• 英文名称: 3-amino-6-methylpyridazine
• 英文别名: 6-methylpyridazin-3-amine；3-Amino-6-methylpyridazin；(6-methylpyridazin-3-yl)amine；6-methylpyridazine-3-ylamine
• CAS: 18591-82-7
• 化学式: C₅H₇N₃
• mdl: MFCD01569899
• 分子量: 109.131
• InChiKey: KAZMCIGKULUUMR-UHFFFAOYSA-N

物化性质

• 熔点：
  222-223℃
• 沸点：
  319℃
• 密度：
  1.155
• 闪点：
  173℃
• pKa：
  5.48±0.10 (Predicted,Most Basic Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn,Xi
• 危险类别码：
  R22,R36/37/38
• 安全说明：
  S26,S37/39
• 海关编码：
  2933990090
• WGK Germany：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Name:	6-Methylpyridazin-3-amine tech Material Safety Data Sheet
Synonym:
CAS:	18591-82-7

Section 1 - Chemical Product MSDS Name:6-Methylpyridazin-3-amine tech Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18591-82-7	6-Methylpyridazin-3-amine		242-430-3

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: 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.
Ingestion:
Get medical aid. 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.
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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 18591-82-7: Personal Protective Equipment Eyes: Not available.
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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 230 - 233 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: C5H7N3
Molecular Weight: 109.13

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 18591-82-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Methylpyridazin-3-amine - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 18591-82-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18591-82-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18591-82-7 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

制备方法与用途

用途

哒嗪是一类重要的芳香杂环化合物，拥有较强的抗病毒、降压、强心和抗癌等多种生理活性。其中，6-甲基-3-氨基哒嗪作为杂环有机物，可用作非常重要的医药化工中间体。

反应信息

• 作为反应物：
  描述：

  6-甲基-3-氨基哒嗪 在 盐酸 、 N-碘代丁二酰亚胺 、 正丁基锂 、 水 、 magnesium 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 正己烷 、 二氯甲烷 、 乙腈 为溶剂， 反应 8.83h， 生成 3-(3-bromo-thieno[3,2-b]pyridin-2-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine
  参考文献：
  名称：

  WO2006/107784

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氯-6-甲基哒嗪 在 ammonium hydroxide 、 copper(ll) sulfate pentahydrate 作用下， 反应 40.0h， 以37%的产率得到6-甲基-3-氨基哒嗪
  参考文献：
  名称：

  Compounds for treating spinal muscular atrophy

  摘要：

  本文提供了用于治疗脊髓性肌萎缩症的化合物、其组合物和使用方法。在一个具体实施例中，本文提供了一种形式的化合物，可用于调节从SMN2基因转录的mRNA中SMN2的外显子7的包含。在另一个具体实施例中，本文提供了一种形式的化合物，可用于调节从SMN1基因转录的mRNA中SMN1的外显子7的包含。在另一个实施例中，本文提供了一种形式的化合物，可用于调节从SMN1和SMN2基因分别转录的mRNA中SMN1和SMN2的外显子7的包含。

  公开号：

  US09617268B2
• 作为试剂：
  描述：

  6-甲基-3-氨基哒嗪 、 sodium;hydride 、 3-[5-(2-fluoro-phenyl)-pyridin-2-yloxy]-azetidine-1-carboxylic acid 4-nitro-phenyl ester 在 6-甲基-3-氨基哒嗪 、 乙酸乙酯 、 碳酸氢钠 、 magnesium sulfate 、 二氯甲烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.25h， 以to give the title compound (48 mg, 49%)的产率得到3-[5-(2-fluoro-phenyl)-pyridin-2-yloxy]-azetidine-1-carboxylic acid (6-methyl-pyridazin-3-yl)-amide
  参考文献：
  名称：

  Azetidine derivatives as FAAH inhibitors

  摘要：

  公式（I）的化合物是脂肪酸酰胺水解酶（FAAH）的抑制剂，对于需要抑制FAAH活性的疾病或医疗条件的治疗非常有用，如焦虑、抑郁、疼痛、炎症、进食、睡眠、神经退行性和运动障碍等： 公式（I）中，Ar1是可选择的取代苯基或可选择的取代的含有5或6个环原子的单环杂芳基；Ar2是可选择的取代苯基、可选择的取代含有5或6个环原子的单环杂芳基或可选择的取代融合的双环杂芳基，在每个融合环中有5或6个环原子；Ar3是从可选择的取代苯撑基和可选择的取代含有5或6个环原子的单环杂芳撑基的群中选择的二价基团。

  公开号：

  US08450346B2

文献信息

• PAR4 AGONIST PEPTIDES
  申请人：Bristol-Myers Squibb Company

  公开号：US20130289238A1

  公开（公告）日：2013-10-31

  The present invention provides PAR4 agonist peptides. These peptides are useful for developing robust PAR4 receptor assays.

  本发明提供PAR4激动肽。这些肽对于开发强大的PAR4受体测定方法非常有用。
• 咪唑并环类PAR4拮抗剂及其医药用途
  申请人：中国药科大学

  公开号：CN110627817B

  公开（公告）日：2022-03-29

  本发明涉及式(I)或式(II)所示的咪唑并环类化合物、或其药学上可接受的盐或酯或溶剂化物。本发明的化合物可用于制备预防或治疗血栓栓塞性病症的药物。
• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：YUMANITY THERAPEUTICS INC

  公开号：WO2020198026A1

  公开（公告）日：2020-10-01

  The present invention features compounds useful in the treatment of neurological disorders and primary brain cancer. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders and primary brain cancer.

  本发明涉及对神经系统疾病和原发性脑癌治疗中有用的化合物。本发明的化合物，单独或与其他药用活性剂结合使用，可用于治疗或预防神经系统疾病和原发性脑癌。
• [EN] BENZOTHIAZOLE AND BENZOTHIOPHNE COMPOUNDS<br/>[FR] COMPOSÉS BENZOTHIOPHÈNE ET BENZOTHIAZOLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016138199A1

  公开（公告）日：2016-09-01

  The present invention provides benzothiazole compounds or benzothiophene compounds of Formula I having the structure: wherein X1, X2, X3, X4, X5, Y, WR2,R3, R4, R5, R6, R7 and AA and other moieties are as defined herein, or a stereoisomer, tautomer, pharmaceutically acceptable salt, prodrug ester or solvate form thereof. These compounds are inhibitors of platelet aggregation and thus can be used as medicaments for treating or preventing thromboembolic disorders.

  本发明提供了具有结构的苯并噻唑化合物或苯并噻吩化合物的公式I：其中X1、X2、X3、X4、X5、Y、WR2、R3、R4、R5、R6、R7和AA以及其他基团如本文所定义，或其立体异构体、互变异构体、药学上可接受的盐、前药酯或溶剂化合物形式。这些化合物是血小板聚集抑制剂，因此可以用作治疗或预防血栓栓塞性疾病的药物。
• [EN] INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS D'INDOLEAMINE 2,3-DIOXYGÉNASE ET LEURS MÉTHODES D'UTILISATION
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018039512A1

  公开（公告）日：2018-03-01

  There are disclosed compounds that modulate or inhibit the enzymatic activity of indoleamine 2,3 -dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or inflammatory disorders utilizing the compounds of the invention.

  所披露的化合物能够调节或抑制吲哚胺2,3-双加氧酶（IDO）的酶活性，包含这些化合物的药物组合物，以及使用本发明的化合物治疗增殖性疾病的方法，如癌症、病毒感染和/或炎症性疾病。