3-羟甲基吲唑 | 64132-13-4

• 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-羟甲基吲唑
• 中文别名: 3-(羟基甲基)吲唑
• 英文名称: (1H-indazol-3-yl)methanol
• 英文别名: 2H-indazol-3-ylmethanol
• CAS: 64132-13-4
• 化学式: C₈H₈N₂O
• mdl: MFCD05260509
• 分子量: 148.164
• InChiKey: NFAIOOKNXAXEBY-UHFFFAOYSA-N

物化性质

• 熔点：
  138-139 °C
• 沸点：
  380.3±17.0 °C(Predicted)
• 密度：
  1.360±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

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
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-(Hydroxymethyl)indazole
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-(Hydroxymethyl)indazole
CAS number: 64132-13-4

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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: C8H8N2O
Molecular weight: 148.2

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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
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

反应信息

• 作为反应物：
  描述：

  3-羟甲基吲唑 在 chromium(VI) oxide 、 硫酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 36.0h， 生成 氯尼达明
  参考文献：
  名称：

  铜（I）介导的邻卤代芳基N-甲苯磺酰hydr的环化反应：吲唑的高效合成

  摘要：

  从邻卤代芳基N-甲苯磺酰基hydr的易获得的E / Z混合物中开发了吲唑的有效合成方法。讨论了N-甲苯磺酰hydr的热诱导异构化。以高收率制备了一系列有价值的吲唑衍生物，该方法已成功地用于生物活性化合物的合成，如：lonidamine，AF-2785，axitinib，YC-1和YD-3。

  DOI：

  10.1002/adsc.201500953
• 作为产物：
  描述：

  1-(2-bromophenyl)-2-hydroxyethanone 在 copper(I) oxide 、 magnesium 作用下， 以 甲醇 、 异戊醇 为溶剂， 反应 42.0h， 生成 3-羟甲基吲唑
  参考文献：
  名称：

  铜（I）介导的邻卤代芳基N-甲苯磺酰hydr的环化反应：吲唑的高效合成

  摘要：

  从邻卤代芳基N-甲苯磺酰基hydr的易获得的E / Z混合物中开发了吲唑的有效合成方法。讨论了N-甲苯磺酰hydr的热诱导异构化。以高收率制备了一系列有价值的吲唑衍生物，该方法已成功地用于生物活性化合物的合成，如：lonidamine，AF-2785，axitinib，YC-1和YD-3。

  DOI：

  10.1002/adsc.201500953

文献信息

• [EN] EPHA4 CYCLIC PEPTIDE ANTAGONISTS AND METHODS OF USE THEREOF<br/>[FR] ANTAGONISTES PEPTIDIQUES CYCLIQUES DE L'EPHA4 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：IRON HORSE THERAPEUTICS INC

  公开号：WO2019213620A1

  公开（公告）日：2019-11-07

  Disclosed herein are compounds and methods of use thereof for the modulation of EphA4 receptor activity. In an aspect, is provided a method of treating or preventing a disease or disorder mediated by EphA4, comprising administering to a subject in need thereof a therapeutically effective amount of a compound as described herein, including certain embodiments, or the structural Formula (I), (l-A), (II), (III), (IV), (IV-1), (V), (Vl-A), (Vl-B), (VII-1), (VII-2), (VIII-1), or (VIII-2), or an enantiomer, a mixture of enantiomers, a mixture of two or more diastereomers, or an isotopic variant thereof; or a pharmaceutically acceptable salt, solvate, or hydrate thereof.

  本文揭示了化合物及其使用方法，用于调节EphA4受体活性。在一个方面，提供了一种治疗或预防由EphA4介导的疾病或紊乱的方法，包括向需要的受试者施用本文描述的化合物的治疗有效量，包括某些实施例，或结构式(I)，(l-A)，(II)，(III)，(IV)，(IV-1)，(V)，(Vl-A)，(Vl-B)，(VII-1)，(VII-2)，(VIII-1)，或(VIII-2)，或其对映体，对映体混合物，两个或更多对映异构体混合物，或其同位素变体；或其药学上可接受的盐，溶剂合物或水合物。
• [EN] 1,2,4 TRIAZOLO [4, 3 -A] [1,5] BENZODIAZEPIN-5 (6H) -ONES AS AGONISTS OF THE CHOLECYSTOKININ-1 RECEPTOR (CCK-IR)<br/>[FR] 1,2,4 TRIAZOLO[4,3-A][1,5] BENZODIAZÉPIN-5(6H)-ONES UTILISÉES COMME AGONISTES DU RÉCEPTEUR DE LA CHOLÉCYSTOKININE-1 (CCK-1R)
  申请人：PFIZER

  公开号：WO2010067233A1

  公开（公告）日：2010-06-17

  This invention relates to CCK-1 R agonists of Formula (I) wherein R1-R5 and X are as defined in the specificiation, as well as pharmaceutical compositions containing the compounds and methods of use of the compounds and compositions. The compounds are useful in treating obesity, type 2 diabetes and associated diseases.

  这项发明涉及到式（I）中的CCK-1 R激动剂，其中R1-R5和X如规范中所定义，以及含有这些化合物的药物组合物和这些化合物和组合物的使用方法。这些化合物在治疗肥胖症、2型糖尿病及相关疾病方面是有用的。
• [EN] COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR<br/>[FR] COMPOSÉS EN TANT QU'INHIBITEURS DU FACTEUR INHIBITEUR DE LA MIGRATION DES MACROPHAGES
  申请人：IMMUNOPHAGE BIOMEDICAL CO LTD

  公开号：WO2020186220A1

  公开（公告）日：2020-09-17

  The present invention provides compounds of Formula (I) shown above and their pharmaceutically acceptable salt, solvates, isomers, or prodrugs, as well as pharmaceutical compositions containing these compounds. Also provided by the invention is a method for treating a disorder mediated by macrophage migration inhibitory factor in a subject, comprising administering to the subject in need thereof a compound or a pharmaceutical composition of this invention.

  本发明提供了上述公式(I)所示的化合物及其药用可接受的盐、溶剂化物、异构体或前药，以及含有这些化合物的药物组合物。本发明还提供了一种用于治疗由巨噬细胞迁移抑制因子介导的疾病的方法，包括向需要治疗的对象施用本发明的化合物或药物组合物。
• INDAZOLE DERIVATIVES
  申请人：Ackermann Jean

  公开号：US20080103182A1

  公开（公告）日：2008-05-01

  The invention is concerned with novel indazole derivatives of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X and Y are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit L-CPT1 and can be used in the prevention or treatment of diseases which are modulated by L-CPT1 inhibitors.

  这项发明涉及公式（I）的新型吲唑衍生物，其中R1、R2、R3、R4、R5、R6、X和Y的定义如描述和索赔中所述，以及其生理上可接受的盐和酯。这些化合物抑制L-CPT1，可用于预防或治疗受L-CPT1抑制剂调节的疾病。
• [EN] GABANERGIC MODULATORS<br/>[FR] MODULATEURS GABANERGIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005016892A1

  公开（公告）日：2005-02-24

  This invention relates to the use of compounds of benzoindazole derivatives salts and solvates thereof for the preparation of a medicament for modulating alpha2 subtype GABA A receptors. The invention further relates to novel heterocyclic compounds and pharmaceutical compositions containing said compounds. In addition the invention relates to the use of compounds of formula (I) salts and solvates thereof for the preparation of a medicament for the treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder or pain.

  本发明涉及苯并咪唑衍生物盐和溶剂的化合物用于制备用于调节α2亚型GABA A受体的药物。该发明还涉及新颖的杂环化合物和含有该化合物的药物组合物。此外，本发明涉及公式(I)的化合物盐和溶剂的用途，用于制备用于治疗抑郁症、焦虑症、精神疾病、学习或认知障碍、睡眠障碍、癫痫或抽搐障碍或疼痛的药物。