1-Boc-6-氨-1H-吲唑 | 219503-81-8

• 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: 1-Boc-6-氨-1H-吲唑
• 中文别名: N-Boc-6-氨基吲唑；1-BOC-6-氨基引唑；1-Boc-6-氨基吲唑
• 英文名称: tert-butyl 6-amino-1H-indazole-1-carboxylate
• 英文别名: tert-butyl 6-aminoindazole-1-carboxylate
• CAS: 219503-81-8
• 化学式: C₁₂H₁₅N₃O₂
• mdl: MFCD04114657
• 分子量: 233.27
• InChiKey: ZUBZKAXFZUIBQY-UHFFFAOYSA-N

物化性质

• 熔点：
  171-172℃
• 沸点：
  395.3±34.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  4

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：
  H315,H319,H335

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
tert-Butyl 6-amino-1h-indazole-1-carboxylate
Product Name:
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

---

Section 3. Composition/information on ingredients.
tert-Butyl 6-amino-1h-indazole-1-carboxylate
Ingredient name:
CAS number: 219503-81-8

---

Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

---

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.

---

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.

---

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.
Storage: Store in closed vessels.

---

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.

---

Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C12H15N3O2
Molecular weight: 233.3

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-Boc-6-氨-1H-吲唑 在 盐酸 、 copper diacetate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 6-anilinoindazole
  参考文献：
  名称：

  Synthesis of Novel N-Aryl-1H-indazolamines from Amino-1H-indazoles and Arylboronic Acids

  摘要：

  本研究描述了以氨基-1H-吲唑和芳基硼酸为原料高效高产合成 N-芳基-1H-吲唑胺的方法。本研究使用芳基硼酸和氨基-1H-吲唑（3a-c）合成了一系列新型 N-芳基-1H-吲唑胺（1a-i）。

  DOI：

  10.14233/ajchem.2014.16794
• 作为产物：
  描述：

  6-硝基吲唑 在 Pd 10percent/C 氢气 作用下， 生成 1-Boc-6-氨-1H-吲唑
  参考文献：
  名称：

  N-芳基N'-羟基胍，一氧化氮合酶选择性氧化后的新一类NO供体：结构-活性关系。

  摘要：

  通过重组诱导型一氧化氮合酶（NOS II）氧化37个N-羟基胍或相关衍生物（包括18个新的N-芳基N'-羟基胍）的过程中，形成一氧化氮（NO）。几个带有相对较小的给电子对位取代基的N-芳基N'-羟基胍，例如H，F，Cl，CH（3），OH，OCH（3）和NH（2），导致NO的生成速率N（ω）-羟基-L-精氨酸（NOHA）生成的NO的8％至41％。这些反应的特征与先前报道的NOS氧化NOHA的特征非常相似：（i）严格要求NOS含有（6R）-5,6,7,8-四氢-L-生物蝶呤，烟酰胺还原腺嘌呤磷酸二核苷酸和O（2）发生氧化，（ii）以1：1的摩尔比形成NO和相应的尿素，并且（iii）经典的NOS抑制剂（例如N（ω）-硝基-L-精氨酸和S-乙基-异硫氰酸酯）具有很强的抑制作用-硫脲。构效关系研究表明，两个结构因素对于由具有C（三键）NOH功能的化合物形成NO至关重要。第一个是存在单取代的N-羟基胍

  DOI：

  10.1021/jm011006h

文献信息

• [EN] SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS<br/>[FR] COMPOSÉS TÉTRAHYDROISOQUINOLINES SUBSTITUÉS EN TANT QU'INHIBITEURS DU FACTEUR XIA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013055984A1

  公开（公告）日：2013-04-18

  The present invention provides compounds of Formula (I): or stereoisomers, pharmaceutically acceptable salts thereof, wherein all of the variables are as defined herein. These compounds are inhibitors of factor XIa and/or plasma kallikrein which may be used as medicaments.

  本发明提供了化合物的公式(I)：或其立体异构体，以及其药学上可接受的盐，其中所有变量如本文所定义。这些化合物是XIa因子和/或血浆激肽酶的抑制剂，可用作药物。
• [EN] FURO[3,2-d]PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE FURO[3,2-D]PYRIMIDINE
  申请人：ABBOTT LAB

  公开号：WO2012048222A1

  公开（公告）日：2012-04-12

  The present invention is directed to novel compounds of Formula (I), pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof wherein the variables are defined as herein. The compounds of Formula (I) are useful as kinase inhibitors and as such would be useful in treating certain conditions and diseases, especially inflammatory conditions and diseases and proliferative disorders and conditions, for example, cancers.

  本发明涉及式(I)的新化合物、药用可接受的盐、生物活性代谢物、前药、外消旋混合物、对映异构体、非对映异构体、溶剂合物和水合物，其中变量如本文所述定义。式(I)的化合物作为激酶抑制剂是有用的，因此可用于治疗某些状况和疾病，特别是炎症状况和疾病以及增殖性障碍和状况，例如癌症。
• [EN] JAK1 SELECTIVE KINASE INHIBITOR<br/>[FR] INHIBITEUR SÉLECTIF DE KINASE JAK1
  申请人：DIZAL JIANGSU PHARMACEUTICAL CO LTD

  公开号：WO2020211839A1

  公开（公告）日：2020-10-22

  Disclosed herein are compounds of Formula (I), and pharmaceutically acceptable salts thereof, that are useful as JAK kinase inhibitors. Also disclosed are pharmaceutical compositions comprising one or more compounds of Formula (I), and methods of using such compounds or compositions to treat respiratory conditions (e.g., asthma or COPD).

  本文披露了式（I）的化合物及其药学上可接受的盐，这些化合物可用作JAK激酶抑制剂。还披露了包含一种或多种式（I）化合物的药物组合物，以及使用这些化合物或组合物治疗呼吸道疾病（例如哮喘或慢性阻塞性肺病）的方法。
• TRICYCLIC INHIBITORS OF KINASES
  申请人：Tong Yunsong

  公开号：US20120220572A1

  公开（公告）日：2012-08-30

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein X, Y, Z, R 3 and R 4 are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as wee-1 and methods of treating diseases such as cancer.

  本发明涉及式(I)的化合物或药用可接受的盐，其中X、Y、Z、R3和R4在描述中有定义。本发明还涉及含有上述化合物的组合物，用于抑制wee-1等激酶，并治疗癌症等疾病的方法。
• [EN] SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS<br/>[FR] COMPOSÉS DE TÉTRAHYDROISOQUINOLÉINE SUBSTITUÉS EN TANT QU'INHIBITEURS DU FACTEUR XIA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013056034A1

  公开（公告）日：2013-04-18

  The present invention provides compounds of Formula (I) or stereoisomers, pharmaceutically acceptable salts thereof, wherein all of the variables are as defined herein. These compounds are inhibitors of factor XIa and/or plasma kallikrein which may be used as medicaments.

  本发明提供了式（I）的化合物或立体异构体，以及其药学上可接受的盐，其中所有变量均如本文所定义。这些化合物是因子XIa和/或血浆激肽原抑制剂，可用作药物。