3-氨基-6-甲氧基哒嗪 | 7252-84-8

• 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: 3-氨基-6-甲氧基哒嗪
• 中文别名: 3-氨基-6-甲氧基哌嗪
• 英文名称: 6-methoxy-3-pyridazinamine
• 英文别名: 3-amino-6-methoxypyridazine；6-methoxypyridazin-3-amine；6-methoxy-3-aminopyridazine
• CAS: 7252-84-8
• 化学式: C₅H₇N₃O
• mdl: MFCD01646127
• 分子量: 125.13
• InChiKey: YPWBPONDYDVMLX-UHFFFAOYSA-N

物化性质

• 熔点：
  108-109℃
• 沸点：
  353.5±22.0 °C(Predicted)
• 密度：
  1.224

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi,Xn
• 危险类别码：
  R22
• 海关编码：
  2933990090
• 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

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-6-methoxypyridazine
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: 3-Amino-6-methoxypyridazine
CAS number: 7252-84-8

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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: C5H7N3O
Molecular weight: 125.1

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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

制备方法与用途

用途

3-氨基-6-甲氧基哒嗪是用于有机合成和其他化学过程的一种有用研究化学品。它在制备吡啶并[1,2-a]嘧啶酮衍生物和相关的富氮双环化合物中用作试剂。

用途

3-氨基-6-甲氧基哒嗪是一种用于有机合成和医药中间体的化合物，广泛应用于制备吡啶并[1,2-a]嘧啶酮衍生物及相关富氮双环化合物。

反应信息

• 作为反应物：
  描述：

  3-氨基-6-甲氧基哒嗪 在 palladium on activated charcoal 、 氢气 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  Discovery and optimization of potent broad-spectrum arenavirus inhibitors derived from benzimidazole

  摘要：

  A chemically diverse library of about 400,000 small molecules was screened for antiviral activity against lentiviral pseudotypes with the Lassa virus envelope glycoprotein (LASV GP) gene incorporated. High-throughput screening resulted in discovery of a hit compound (ST-37) possessing a benzimidazole core which led to a potent compound series. Herein, we report SAR studies which involved structural modifications to the phenyl rings and methylamino linker portion attached to the benzimidazole core. Many analogs in this study possessed single digit nanomolar potency against LASV pseudotypes. Compounds in this benzimidazole series also exhibited nanomolar antiviral activity against pseudotypes generated from other arenavirus envelopes indicating the potential for development of a broad-spectrum inhibitor. Ultimately, lead compound ST-193 was identified and later found to be efficacious in a lethal LASV guinea pig model showing superior protection compared to ribavirin treatment. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.095
• 作为产物：
  描述：

  磺胺甲氧哒嗪 以 水 为溶剂， 生成 3-氨基-6-甲氧基哒嗪
  参考文献：
  名称：

  水性介质中磺胺二甲嘧啶，磺胺甲氧基哌啶嗪，阿米替林和氯米帕明药物的光降解

  摘要：

  研究了两种抗菌磺胺类药物磺胺二甲嘧啶（SMT）和磺胺甲氧基哒嗪（SMP）以及两种三环抗抑郁药阿米替林（AMT）和氯米帕明（CMP）的光化学转化。在人造阳光照射下在河水中进行的实验表明，与纯净水相比，SMT，SMP和CMP的降解加速了1.6-7.7倍。这种加速至少部分是由于在河水中可能发生的光敏反应。CMP的光降解特别快。另外，当发生光敏反应时，在纯水中没有观察到AMT降解。在纯净水中在紫外线（254 nm）照射下，四种药物被降解。计算的光降解量子产率为4.3×10-3，5.1×10 -3，7.6×10 -3，和65.0×10 -3分别为SMT，SMP，AMT，和CMP。UV与过氧化氢（UV / H 2 O 2）结合用作水污染的高级氧化工艺。与羟基自由基反应的计算出的二阶速率常数分别为5.0×10 9，5.0×10 9，8.0×10 9和9.5×10 9 大号摩尔-1 小号-1为SMT，SM

  DOI：

  10.1016/j.jphotochem.2016.12.008
• 作为试剂：
  描述：

  3-氨基-6-甲氧基哒嗪 、 sodium;hydride 、 3-[5-(2-fluoro-phenyl)-pyridin-2-yloxy]-azetidine-1-carboxylic acid 4-nitro-phenyl ester 在 3-氨基-6-甲氧基哒嗪 、 乙酸乙酯 、 碳酸氢钠 、 magnesium sulfate 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 (35 mg, 37%)的产率得到3-[5-(2-fluoro-phenyl)-pyridin-2-yloxy]-azetidine-1-carboxylic acid (6-methoxy-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

• Biaryl Ether Urea Compounds
  申请人：FAY Lorraine Kathleen

  公开号：US20080261941A1

  公开（公告）日：2008-10-23

  The present invention relates to compounds of Formula (I) or a pharmaceutically acceptable salt thereof; processes for the preparation of the compounds; intermediates used in the preparation of the compounds; compositions containing the compounds; and uses of the compounds in treating diseases or conditions associated with fatty acid amide hydrolase (FAAH) activity.

  本发明涉及式(I)的化合物或其药用可接受的盐；制备该化合物的方法；制备该化合物所用的中间体；含有该化合物的组合物；以及利用该化合物治疗与脂肪酸酰胺水解酶(FAAH)活性相关的疾病或症状。
• [EN] 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES<br/>[FR] DÉRIVÉS DE 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHÉNYLIMIDAZO[1,2-A]PYRIDINE, ET 2-PHÉNYLIMIDAZO[1,2-A]PYRAZINE
  申请人：PAMLICO PHARMACEUTICAL INC

  公开号：WO2012088411A1

  公开（公告）日：2012-06-28

  Disclosed are compounds of formula (I): (Formula (I) where X, Y, X, A, R1; R2, and R3 are defined herein. Also disclosed are pharmaceutically acceptable salts of the compounds, compositions containing the compounds, and methods of using the compounds to treat, e.g., cancer.

  公开的是式(I)的化合物：（式(I)中X、Y、X、A、R1、R2和R3的定义如本文所述。还公开了这些化合物的药用盐、含有这些化合物的组合物，以及使用这些化合物治疗癌症等疾病的方法。
• [EN] SUBSTITUTED UREA DERIVATIVES AND USES THEREOF IN MEDICINE<br/>[FR] DÉRIVÉS D'URÉE SUBSTITUÉS ET LEUR UTILISATION EN MÉDECINE
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2015043492A1

  公开（公告）日：2015-04-02

  Provided herein are substituted urea derivatives or stereoisomers, geometric isomers, tautomers, N-oxides, hydrates, solvates, metabolites, esters, pharmaceutically acceptable salts or prodrugs thereof, and pharmaceutical compositions thereof, which are useful in modulating the FLT3 kinase activity, inhibiting FLT3-ITD, and treating the diseases mediated by FLT3 kinase or caused by FLT3-ITD.

  本文提供了替代尿素衍生物或其立体异构体、几何异构体、互变异构体、N-氧化物、水合物、溶剂合物、代谢物、酯类、药学上可接受的盐或其前药，以及用于调节FLT3激酶活性、抑制FLT3-ITD并治疗由FLT3激酶介导或由FLT3-ITD引起的疾病的药物组合物。
• Screening Hit to Clinical Candidate: Discovery of BMS-963272, a Potent, Selective MGAT2 Inhibitor for the Treatment of Metabolic Disorders
  作者：Huji Turdi、Hannguang Chao、Jon J. Hangeland、Saleem Ahmad、Wei Meng、Robert Brigance、Guohua Zhao、Wei Wang、Fang Moore、Xiang-Yang Ye、Arvind Mathur、Xiaoping Hou、James Kempson、Dauh-Rurng Wu、Yi-Xin Li、Anthony V. Azzara、Zhengping Ma、Ching-Hsuen Chu、Luping Chen、Mary Jane Cullen、Suzanne Rooney、Susan Harvey、Lisa Kopcho、Reshma Panemangelor、Lynn Abell、Kevin O’Malley、William J. Keim、Elizabeth Dierks、Shu Chang、Kimberly Foster、Atsu Apedo、David Harden、Marta Dabros、Qi Gao、Mary Ann Pelleymounter、Jean M. Whaley、Jeffrey A. Robl、Dong Cheng、R. Michael Lawrence、Pratik Devasthale

  DOI：10.1021/acs.jmedchem.1c01356

  日期：2021.10.14

  moderate potency against human MGAT2, was inactive vs mouse MGAT2 and had poor microsomal metabolic stability. A novel chemistry route was developed to synthesize aryl dihydropyridinone analogs to explore structure–activity relationship around this hit, leading to the discovery of potent and selective MGAT2 inhibitors 21f, 21s, and 28e that are stable to liver microsomal metabolism. After triaging out 21f

  MGAT2抑制是治疗代谢紊乱的潜在治疗方法。BMS 内部化合物集合的高通量筛选将芳基二氢吡啶酮化合物1 (hMGAT2 IC 50 = 175 nM) 确定为命中。化合物1对人 MGAT2 具有中等效力，与小鼠 MGAT2 相比无活性，并且微粒体代谢稳定性差。开发了一种新的化学路线来合成芳基二氢吡啶酮类似物，以探索围绕这一命中的构效关系，从而发现对肝微粒体代谢稳定的有效和选择性 MGAT2 抑制剂21f、21s和28e。筛选出21f后由于其在体内效力、药代动力学和基于结构的责任和四唑28e由于其较差的通道责任概况，21s (BMS-963272) 在饮食中证明了目标减肥功效后被选为临床候选者-诱导的肥胖小鼠模型和在多个临床前物种中可接受的安全性和耐受性特征。
• NOVEL COMPOUNDS
  申请人：Glaxo Group Limited

  公开号：US20150065507A1

  公开（公告）日：2015-03-05

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators, processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ.

  本发明涉及新型视黄醛酸相关孤儿受体γ（RORγ）调节剂，其制备方法，含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症性、代谢性和自身免疫疾病中的应用。