3-溴-4,7-二氮杂吲哚 | 56015-31-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡嗪类
• 中文名称: 3-溴-4,7-二氮杂吲哚
• 英文名称: 7-bromo-5H-pyrrolo[2,3-b]pyrazine
• 英文别名: 3-Bromo-4,7-diazaindole
• CAS: 56015-31-7
• 化学式: C₆H₄BrN₃
• 分子量: 198.022
• InChiKey: BIVCAYYYCIWBLQ-UHFFFAOYSA-N

物化性质

• 熔点：
  256-257 °C
• 沸点：
  265.0±50.0 °C(Predicted)
• 密度：
  2.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 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：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-4,7-diazaindole
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-Bromo-4,7-diazaindole
CAS number: 56015-31-7

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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: C6H4BrN3
Molecular weight: 198.0

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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, hydrogen bromide.

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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-溴-4,7-二氮杂吲哚 在 tris-(dibenzylideneacetone)dipalladium(0) 、 四(三苯基膦)钯 三乙胺 、 三(邻甲基苯基)磷 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 10.83h， 生成 7-(2,6-dichloropyridin-4-yl)-5-(phenylsulfonyl)-5H-pyrrolo[2,3-b]pyrazine
  参考文献：
  名称：

  PYRROLOPYRAZINE INHIBITORS OF KINASES

  摘要：

  本发明涉及式(I)的化合物或药用可接受的盐，其中R1a、R1b、X和Y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Cdc7等激酶并治疗癌症等疾病的方法。

  公开号：

  US20110015172A1
• 作为产物：
  描述：

  4,7-二氮杂吲哚 生成 3-溴-4,7-二氮杂吲哚
  参考文献：
  名称：

  CLARK B. A.; DORGAN T. J.; PARRICK J., CHEM. AND IND. , 1975, NO 5, 215-216

  摘要：

  DOI：
• 作为试剂：
  描述：

  4,7-二氮杂吲哚 、 溴 在 3-溴-4,7-二氮杂吲哚 、 盐酸 、 silica gel 作用下， 以 氯仿 、 四氯化碳 为溶剂， 反应 2.0h， 以provides compound 4的产率得到3-溴-4,7-二氮杂吲哚
  参考文献：
  名称：

  Substituted pyrrolo[2,3b]pyrazines and methods for treatment of raf protein kinase-mediated indications

  摘要：

  本文描述了化合物及其盐、制剂、共轭物、衍生物、形式和用途，其中化合物的化学式为: 在某些方面和实施例中，所述的化合物或其盐、制剂、共轭物、衍生物、形式至少对一种Raf蛋白激酶具有活性。还描述了使用它们治疗与Raf蛋白激酶活性相关的疾病和病状的方法，包括黑色素瘤、结直肠癌、甲状腺癌、卵巢癌、胆管癌、疼痛或多囊肾病。

  公开号：

  US08110576B2

文献信息

• [EN] COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS<br/>[FR] INHIBITEURS DU RÉCEPTEUR DE FACTEUR-1 DE STIMULATION DE COLONIES (CSF-1R)
  申请人：GENZYME CORP

  公开号：WO2017015267A1

  公开（公告）日：2017-01-26

  Compounds of the formulas I and XIII, which are useful as colony stimulating factor-1 receptor inhibitors ("CSF 1R inhibitors").

  I和XIII式化合物，可用作促细胞增殖因子-1受体抑制剂（"CSF 1R抑制剂"）。
• [EN] MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY<br/>[FR] MODULATEURS DE LA VOIE DE SIGNALISATION HEDGEHOG (HH)
  申请人：E THERAPEUTICS PLC

  公开号：WO2018078360A1

  公开（公告）日：2018-05-03

  There are described compounds of formula (I): and there use as a medicament in the treatment of conditions involving abnormal activation and/or malfunction of the of the hedgehog pathway, such as cancer, fibrosis and chronic graft-versus-host disease (cGVHD).

  描述了化合物的结构式(I)：以及它们在治疗涉及Hedgehog通路异常激活和/或功能失调的疾病中的用途，如癌症、纤维化和慢性移植物抗宿主病（cGVHD）的药物。
• Compounds and Methods for Kinase Modulation, and Indications Therefor
  申请人：Ibrahim Prabha N.

  公开号：US20090306087A1

  公开（公告）日：2009-12-10

  Compounds and salts thereof, formulations thereof conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof are active on at least one Raf protein kinase. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of Raf protein kinases, including melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease.

  描述了化合物及其盐、配方、共轭物、衍生物、形式和用途。在某些方面和实施例中，所述化合物或其盐、配方、共轭物、衍生物、形式对至少一种Raf蛋白激酶具有活性。还描述了利用这些方法来治疗与Raf蛋白激酶活性相关的疾病和症状的方法，包括黑色素瘤、结直肠癌、甲状腺癌、卵巢癌、胆管癌、疼痛或多囊肾病等疾病和症状。
• PYRROLOPYRAZINONE INHIBITORS OF KINASES
  申请人：Zhu Gui-Dong

  公开号：US20110257189A1

  公开（公告）日：2011-10-20

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein R 1a , R 1b , R 1c , X, Y, Z, n, and m are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as Cdc7 and methods of treating diseases such as cancer.

  本发明涉及化合物的结构式(I)或其药用可接受的盐，其中R1a、R1b、R1c、X、Y、Z、n和m如描述中所定义。本发明还涉及含有上述化合物的组合物，用于抑制Cdc7等激酶，以及治疗癌症等疾病的方法。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Ibrahim Prabha N.

  公开号：US20090306086A1

  公开（公告）日：2009-12-10

  Compounds active on Fms and/or Kit protein kinases are described, as well as methods of using such compounds to treat diseases and conditions associated with aberrant activity of Fms and/or Kit protein kinases.

  本文描述了对Fms和/或Kit蛋白激酶具有活性的化合物，以及使用这些化合物治疗与Fms和/或Kit蛋白激酶异常活性相关的疾病和病况的方法。