7-溴-[1,2,4]噻唑并[1,5-a]吡啶 | 1053655-66-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并吡啶类
• 中文名称: 7-溴-[1,2,4]噻唑并[1,5-a]吡啶
• 中文别名: 7-溴-[1,2,4]噻唑并[1,5-A]吡啶；7-溴-1,2,4噻唑并1,5-A吡啶
• 英文名称: 7-bromo-[1,2,4]triazolo[1,5-a]pyridine
• 英文别名: 7-Bromo[1,2,4]triazolo[1,5-a]pyridine
• CAS: 1053655-66-5
• 化学式: C₆H₄BrN₃
• 分子量: 198.022
• InChiKey: VGJYOOVSVQHZPL-UHFFFAOYSA-N

物化性质

• 密度：
  1.89±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 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：
  30.2
• 氢给体数：
  0
• 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：
  存储条件为室温、避光且在惰性气体环境中。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 7-Bromo[1,2,4]Triazolo[1,5-A]Pyridine
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 198,02 g/mol
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Avoid
breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  7-溴-[1,2,4]噻唑并[1,5-a]吡啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 2-(二环己基膦)3,6-二甲氧基-2′,4′,6′-三异丙基-1,1′-联苯 、 palladium diacetate 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 9.0h， 生成 N-(4-((1-cyclopropyl-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)oxy) pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
  参考文献：
  名称：

  Synthesis and biological evaluation of 4-(pyridine-4-oxy)-3-(tetrahydro-2H-pyran-4-yl)-pyrazole derivatives as novel, potent of ALK5 receptor inhibitors

  摘要：

  DOI：

  10.1016/j.bmcl.2022.128552
• 作为产物：
  描述：

  2-氨基-4-溴吡啶 在 三氟乙酸酐 作用下， 以 异丙醇 、 甲苯 为溶剂， 反应 13.0h， 生成 7-溴-[1,2,4]噻唑并[1,5-a]吡啶
  参考文献：
  名称：

  一种卤代三唑并吡啶的合成方法

  摘要：

  本申请涉及有机合成技术领域，更具体地说，它涉及一种卤代三唑并吡啶的合成方法。一种卤代三唑并吡啶的合成方法，以下列式Ι所表示的化合物和三氟乙酸酐为原料，甲苯为溶剂，控制温度为20‑25℃，进行缩合反应，得到反应液；将所得反应液温度控制在‑5‑0℃、搅拌条件下，调节反应液pH值为9‑10，反应液中有固体析出，过滤收集析出固体，水洗固体至pH值为7后，将固体烘干，即得卤代三唑并吡啶；本申请的合成方法，具有促进目标产物的合成，简化目标产物的纯化步骤，提高目标产物收率的效果。

  公开号：

  CN114773333A

文献信息

• [EN] BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS<br/>[FR] DÉRIVÉS D'OXADIAZOLOPYRIDINE À SUBSTITUTION BENZYLE, (PYRIDIN-3-YL)MÉTHYLE OU (PYRIDIN-4-YL)MÉTHYLE UTILISÉS EN TANT QU'INHIBITEURS DE LA GHRÉLINE O-ACYLTRANSFÉRASE (GOAT)
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2019149657A1

  公开（公告）日：2019-08-08

  The present invention relates to compounds of general formula (I), wherein the groups R1 and R2 are defined as in claim 1, which have valuable pharmacological properties, in particular bind to ghrelin O-acyl transferase (GOAT) and modulate its activity. The compounds are suitable for treatment and prevention of diseases which can be influenced by this receptor, such as metabolic diseases, in particular obesity.

  本发明涉及一般式（I）的化合物，其中基团R1和R2的定义如权利要求1中所述，该化合物具有有价值的药理特性，特别是与胃饥饿素O-酰基转移酶（GOAT）结合并调节其活性。这些化合物适用于治疗和预防可以受到该受体影响的疾病，如代谢性疾病，特别是肥胖症。
• [EN] INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES<br/>[FR] INHIBITEURS DES KINASES RÉCEPTRICES DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：KINNATE BIOPHARMA INC

  公开号：WO2021247969A1

  公开（公告）日：2021-12-09

  Provided herein are heteroaryl inhibitors of fibroblast growth factor receptor kinases, pharmaceutical compositions comprising said compounds, and methods for using said compounds for the treatment of diseases.

  提供了一种杂芳基的成纤维细胞生长因子受体激酶抑制剂，包括所述化合物的药物组合物，以及使用所述化合物治疗疾病的方法。
• OXAZOLIDINONE DERIVATIVE HAVING FUSED RING
  申请人：Katoh Issei

  公开号：US20110098471A1

  公开（公告）日：2011-04-28

  The present invention provides a novel antimicrobial drug comprising an oxazolidinone derivative of the formula (I): or a pharmaceutically acceptable salt or solvate thereof; wherein ring A is ring B is a benzene ring optionally substituted with lower alkyl; ring C is an optionally substituted six-membered heterocycle containing at least one nitrogen atom and one to three double bond(s) in the ling wherein the atom at the point of attachment to ring B is a carbon atom; ring D is an optionally substituted five-membered ring containing one or two double bond(s) in the ring; A 1 and A 2 are independently nitrogen or carbon; m is 0 or 1; R represents H, —NHC(═O)R A , —NHC(═S)R A , —NH-het 1 , —O-het 1 , —S-het 1 , —S(═O)-het 1 , —S(═O) 2 -het 1 , het 2 , —CONHR A , —OH, lower alkyl, lower alkoxy or lower alkenyl; and het 1 and het 2 are independently a heterocyclic group; with the proviso that the fused ring C-D is not

  本发明提供了一种新型抗菌药物，包括式(I)的噁唑烷酮衍生物： 或其药学上可接受的盐或溶剂；其中环A是 环B是一个苯环，可选择地取代为较低的烷基；环C是一个可选择地取代的含有至少一个氮原子和一个到三个双键的六元杂环，在连接到环B的点的原子是一个碳原子；环D是一个可选择地取代的含有一个或两个双键的五元环；A 1 和A 2 独立地是氮或碳；m为0或1；R代表H，—NHC(═O)R A ，—NHC(═S)R A ，—NH-het 1 ，—O-het 1 ，—S-het 1 ，—S(═O)-het 1 ，—S(═O) 2 -het 1 ，het 2 ，—CONHR A ，—OH，较低的烷基，较低的烷氧基或较低的烯基；和het 1 和het 2 独立地是一个杂环基团；但附带条件是融合的环C-D不是
• [EN] SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF<br/>[FR] 5-AMINOPYRAZOLES SUBSTITUÉS ET LEUR UTILISATION
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2010020363A1

  公开（公告）日：2010-02-25

  The present application relates to novel substituted 5-aminopyrazoles, methods of production thereof, use thereof alone or in combinations for the treatment and/or prophylaxis of diseases and use thereof for the production of medicinal products for the treatment and/or prophylaxis of diseases.

  本申请涉及新型取代的5-氨基吡唑化合物，其生产方法，单独或组合使用于治疗和/或预防疾病，以及用于生产治疗和/或预防疾病的药物产品的用途。
• FUSED RING HETEROARYL COMPOUNDS AS ALK4/5 INHIBITORS
  申请人：BiSiChem Co., Ltd.

  公开号：US20200231591A1

  公开（公告）日：2020-07-23

  The invention provides novel substituted heterocyclic compounds represented by Formula I, or a pharmaceutically acceptable salt, solvate, polymorph, ester, tautomer or prodrug thereof, and a composition comprising these compounds. The compounds provided can be used as inhibitors of ALK5 and/or ALK4 and are useful in the treatment of pulmonary fibrosis, NASH, obesity, diabetes, cancers and other inflammation.

  该发明提供了由化学式I表示的新型取代杂环化合物，或其药学上可接受的盐、溶剂合物、多型体、酯、互变异构体或前药，以及包含这些化合物的组合物。所提供的化合物可用作ALK5和/或ALK4的抑制剂，并且在治疗肺纤维化、NASH、肥胖症、糖尿病、癌症和其他炎症方面具有用途。