3-氨基吲唑 | 874-05-5

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 3-氨基吲唑
• 中文别名: 1H-吲唑-3-胺；3-氨基-1H-吲唑
• 英文名称: 3-aminoindazole
• 英文别名: 1H-indazol-3-amine；3-amino-1H-indazole；1H-indazole-3-amine；1H-indazol-3-ylamine
• CAS: 874-05-5
• 化学式: C₇H₇N₃
• mdl: MFCD00182045
• 分子量: 133.153
• InChiKey: YDTDKKULPWTHRV-UHFFFAOYSA-N

物化性质

• 熔点：
  156-157°C
• 沸点：
  376.6±15.0 °C(Predicted)
• 密度：
  1.367±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险等级：
  6.1
• 危险等级：
  IRRITANT
• 安全说明：
  S26,S36/37/39
• 危险品运输编号：
  3259
• 海关编码：
  2933990090
• 危险类别码：
  R34
• WGK Germany：
  3
• 危险性防范说明：
  P262,P280,P301+P312,P302+P352,P304+P341,P305+P351+P338,P308+P313
• 危险性描述：
  H302,H312,H332
• 储存条件：
  | 2-8°C |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1H-Indazol-3-amine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280: Wear protective gloves/protective clothing/eye protection/face protection
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 1H-Indazol-3-amine
CAS number: 874-05-5

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H7N3
Molecular weight: 133.2

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (1H-Indazol-3-amine)

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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-氨基吲唑是一种用于制备吲唑衍生物的试剂，并且具有潜在的抗菌和抗肿瘤作用。

反应信息

• 作为反应物：
  描述：

  3-氨基吲唑 在 sodium hydroxide 、 sodium hydroxylamine-O-sulfonate 作用下， 以 乙醇 为溶剂， 反应 1.33h， 以10%的产率得到(9ci)-1H-吲唑-1,3-二胺
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1011600420626
• 作为产物：
  描述：

  2-azidophenylamidine hydrochloride 以 邻二氯苯 为溶剂， 反应 0.5h， 以0.03 g的产率得到3-氨基吲唑
  参考文献：
  名称：

  Ardakani, Manouchehr Azadi; Smalley, Robert K.; Smith, Richard H., Journal of the Chemical Society. Perkin transactions I, 1983, # 10, p. 2501 - 2506

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-氟-5-甲氧基苯甲腈 、 一水合肼 在 3-氨基吲唑 、 正己烷 、 正庚烷 、 水 、 肼 作用下， 以 正丁醇 为溶剂， 反应 0.75h， 以to obtain nice crystalline white solid of indazole amine (46 mg) in 60% yield的产率得到3-氨基吲唑
  参考文献：
  名称：

  Methods and compositions for the treatment of body composition disorders

  摘要：

  本发明涉及治疗、管理和预防身体组成失调的方法，以及在这些方法中有用的化合物和制药组合物。

  公开号：

  US20080200458A1

文献信息

• [EN] INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK NO 5 LTD

  公开号：WO2021176367A1

  公开（公告）日：2021-09-10

  A compound of Formula I, including pharmaceutically acceptable salts thereof, and compositions and methods for treating human immunodeficiency virus (HIV) infection are set forth: (I)

  一种包括其药用可接受盐的I式化合物，以及用于治疗人类免疫缺陷病毒（HIV）感染的组合物和方法被提出：（I）
• Visible-Light-Driven Synthesis of Arylstannanes from Arylazo Sulfones
  作者：Chang Lian、Guanglu Yue、Jinshan Mao、Danyang Liu、Yi Ding、Zerong Liu、Di Qiu、Xia Zhao、Kui Lu、Maurizio Fagnoni、Stefano Protti

  DOI：10.1021/acs.orglett.9b01788

  日期：2019.7.5

  The visible-light-driven preparation of (hetero)aryl stannanes was carried out under both photocatalyst- and metal-free conditions via irradiation of arylazo sulfones in the presence of hexaalkyldistannanes. The reaction shows a high efficiency and a wide substrates scope. The resulting crude organotin derivatives can be directly employed in a Stille protocol.

  （杂）芳基锡烷的可见光驱动制备是在六烷基二锡烷存在下，通过芳基偶氮砜的辐射，在无光催化剂和无金属的条件下进行的。该反应显示出高效率和广泛的底物范围。所得的粗有机锡衍生物可以直接用于Stille方案中。
• Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor
  申请人：——

  公开号：US20040157849A1

  公开（公告）日：2004-08-12

  Compounds of formula (I) 1 are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

  式（I）的化合物是新颖的VR1拮抗剂，可用于治疗疼痛、炎症性热性过敏、尿失禁和膀胱过度活动。
• [EN] 6-(MORPHOLIN-4-YL)-PYRIDIN-2-YL-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS M-TOR INHIBITORS<br/>[FR] DÉRIVÉS DE 6-(MORPHOLIN-4-YL)-PYRIDIN-2-YL-1H-PYRROLO[3,2-B]PYRIDINE EN TANT QU'INHIBITEURS DE M-TOR
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019115640A1

  公开（公告）日：2019-06-20

  The invention relates to compounds of formula (I) wherein R1, R2, R3, R4, L and A are as defined in the description and claims, or pharmaceutically acceptable salts thereof having mTOR kinase inhibitor activity. The invention also relates to pharmaceutical compositions including a compound of formula (I) or a pharmaceutically acceptable salt thereof, and to the use of a compound of formula (I) or a pharmaceutically acceptable salt thereof in therapy, including in the treatment of a disease or condition for which an mTOR kinase inhibitor activity is indicated, and in particular the treatment of idiopathic pulmonary fibrosis.

  该发明涉及式(I)的化合物，其中R1、R2、R3、R4、L和A如描述和索赔中所定义，或其药学上可接受的盐，具有mTOR激酶抑制剂活性。该发明还涉及包括式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗中使用式(I)的化合物或其药学上可接受的盐，包括治疗需要mTOR激酶抑制剂活性的疾病或症状，特别是治疗特发性肺纤维化。
• 1-Aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands
  申请人：Wyeth

  公开号：US20040192749A1

  公开（公告）日：2004-09-30

  The present invention provides a compound of formula I and the use thereof in the therapeutic treatment of disorders related to or affected by the 5-HT6 receptor. 1

  本发明提供了一种I式化合物及其在治疗与5-HT6受体相关或受其影响的疾病中的应用。