3-氨基-4-甲基哒嗪 | 90568-15-3

• 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-4-甲基哒嗪
• 英文名称: 4-methylpyridazin-3-amine
• CAS: 90568-15-3
• 化学式: C₅H₇N₃
• mdl: MFCD08460975
• 分子量: 109.131
• InChiKey: WDTVJTBXOFGSJT-UHFFFAOYSA-N

物化性质

• 熔点：
  193.5 °C
• 沸点：
  316.8±22.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

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

• 海关编码：
  2933990090
• 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: 3-Amino-4-methyl-pyridazine
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-4-methyl-pyridazine
CAS number: 90568-15-3

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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.
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: C5H7N3
Molecular weight: 109.1

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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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  3-肼基-4-甲基哒嗪	1-(4-methylpyridazin-3-yl)hydrazine	82426-93-5	C5H8N4	124.145

反应信息

• 作为反应物：
  描述：

  3-氨基-4-甲基哒嗪 在 氢溴酸 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 6-Amino-1-(3-carboxy-propyl)-5-methyl-pyridazin-1-ium; bromide
  参考文献：
  名称：

  一系列作为选择性GABA-A拮抗剂的γ-氨基丁酸氨基哒嗪衍生物的合成与构效关系。

  摘要：

  我们最近发现，GABA的芳基氨基哒嗪衍生物SR 95103 [2-（3-羧丙基）-3-氨基-4-甲基-6-苯基吡啶并鎓氯化物]是一种选择性和竞争性的GABA-A受体拮抗剂。为了进一步探索对GABA受体亲和力的结构要求，我们通过将各种哒嗪结构连接到GABA或GABA样侧链上，合成了38种化合物。大多数化合物从大鼠脑膜中取代了[3H] GABA。所有活性化合物都拮抗了GABA引起的[3H]地西p结合的增强，强烈表明所有这些化合物都是GABA-A受体拮抗剂。从大鼠脑膜置换[3H] GABA的化合物均未与其他GABA识别位点（GABA-B受体，GABA吸收结合位点，谷氨酸脱羧酶，GABA转氨酶）相互作用。它们不与与GABA-A受体相关的Cl-离子载体相互作用，也不与苯并二氮杂str，士的宁和谷氨酸结合位点相互作用。因此，这些化合物似乎是特异性的GABA-A受体拮抗剂。就结构活性而言，可以得出结论，

  DOI：

  10.1021/jm00385a003
• 作为产物：
  描述：

  4-甲基-3(2H)-哒嗪酮 在 镍 氢气 、 一水合肼 、 三氯氧磷 作用下， 以 甲醇 、 正丁醇 为溶剂， 20.0~100.0 ℃ 、101.33 kPa 条件下， 反应 10.0h， 生成 3-氨基-4-甲基哒嗪
  参考文献：
  名称：

  一系列作为选择性GABA-A拮抗剂的γ-氨基丁酸氨基哒嗪衍生物的合成与构效关系。

  摘要：

  我们最近发现，GABA的芳基氨基哒嗪衍生物SR 95103 [2-（3-羧丙基）-3-氨基-4-甲基-6-苯基吡啶并鎓氯化物]是一种选择性和竞争性的GABA-A受体拮抗剂。为了进一步探索对GABA受体亲和力的结构要求，我们通过将各种哒嗪结构连接到GABA或GABA样侧链上，合成了38种化合物。大多数化合物从大鼠脑膜中取代了[3H] GABA。所有活性化合物都拮抗了GABA引起的[3H]地西p结合的增强，强烈表明所有这些化合物都是GABA-A受体拮抗剂。从大鼠脑膜置换[3H] GABA的化合物均未与其他GABA识别位点（GABA-B受体，GABA吸收结合位点，谷氨酸脱羧酶，GABA转氨酶）相互作用。它们不与与GABA-A受体相关的Cl-离子载体相互作用，也不与苯并二氮杂str，士的宁和谷氨酸结合位点相互作用。因此，这些化合物似乎是特异性的GABA-A受体拮抗剂。就结构活性而言，可以得出结论，

  DOI：

  10.1021/jm00385a003

文献信息

• [EN] 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS<br/>[FR] 4-[HÉTÉROCYCLYLMÉTHYL]-8-FLUORO-QUINOLIN-2-ONES UTILES COMME INHIBITEURS DE L'OXYDE NITRIQUE SYNTHASE
  申请人：KALYPSYS INC

  公开号：WO2009029625A1

  公开（公告）日：2009-03-05

  Novel compounds of formulae (II, III) and pharmaceutical compositions have been found to inhibit inducible NOS synthase wherein: R4, R5, R6 and R7 are independently selected from the group consisting of hydrogen, lower alkyl, and halogen; and, R8 has the structure whrein X1, X2, X3, X4, X5, X6, R9, R13, R14 and n are as described herein.

  已发现具有式（II，III）的新化合物和药物组合物能够抑制可诱导型NOS合酶，其中：R4、R5、R6和R7分别选自氢、较低烷基和卤素组成的群；而R8具有结构，其中X1、X2、X3、X4、X5、X6、R9、R13、R14和n如本文所述。
• [EN] INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF<br/>[FR] INHIBITEURS DE LA PROTÉINE ANOCTAMINE 6 ET LEURS UTILISATIONS
  申请人：ILDONG PHARMACEUTICAL CO LTD

  公开号：WO2022157686A1

  公开（公告）日：2022-07-28

  The present invention relates to a new compound that can inhibit an anoctamin 6 protein, a composition comprising the compound, a method for preparing the compound, and a method for using the compound or composition.

  本发明涉及一种新化合物，可以抑制anoctamin 6蛋白质，包括该化合物的组合物，制备该化合物的方法，以及使用该化合物或组合物的方法。
• Research on heterocyclic compounds, XLI. 2-Phenylimidazo[1,2-b]pyridazine-3-acetic derivatives: synthesis and anti-inflammatory activity
  作者：Antonia Sacchi、Sonia Laneri、Francesca Arena、Enrico Abignente、Marina Gallitelli、Michele D'amico、Walter Filippelli、Francesco Rossi

  DOI：10.1016/s0223-5234(99)00112-9

  日期：1999.11

  The synthesis of a group of 2-phenylimidazo[1,2-b]pyridazine-3-acetic esters and acids is described. The structures of the new compounds are supported by H-1-NMR spectra. These compounds were tested in vivo for their anti-inflammatory, analgesic and ulcerogenic activity. All new compounds showed remarkable anti-inflammatory action in the carrageenan rat paw oedema (one third of that for indomethacin) but no significant analgesic activity in the acetic acid writhing test together with negligible ulcerogenic action, and were also found to be lacking inhibitory activity on cyclooxygenase in vitro. (C) 1999 Editions scientifiques et medicales Elsevier SAS.
• ABIGNENTE, ENRICO;ARENA, FRANCESCA;LURASCHI, ELENA;SATURNINO, CARMELA;MAR+, FARMACO, 45,(1990) N0, C. 1075-1087
  作者：ABIGNENTE, ENRICO、ARENA, FRANCESCA、LURASCHI, ELENA、SATURNINO, CARMELA、MAR+

  DOI：——

  日期：——
• WERMUTH C. -G.; BOURGUIGNON J. -J.; SCHLEWER G.; GIES J. -P.; SCHOENFELDE+, J. MED. CHEM., 30,(1987) N 2, 239-249
  作者：WERMUTH C. -G.、 BOURGUIGNON J. -J.、 SCHLEWER G.、 GIES J. -P.、 SCHOENFELDE+

  DOI：——

  日期：——