7-溴咪唑并[1,2-a]吡啶 | 808744-34-5

• 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 - 咪唑并吡啶类
• 中文名称: 7-溴咪唑并[1,2-a]吡啶
• 中文别名: 7-溴咪唑[1,2-a]吡啶；7-溴咪唑并[1,2-A]吡啶
• 英文名称: 7-bromoimidazo[1,2-a]pyridine
• CAS: 808744-34-5
• 化学式: C₇H₅BrN₂
• 分子量: 197.034
• InChiKey: OASOJRLJBDCVNU-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120℃
• 密度：
  1.69

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  17.3
• 氢给体数：
  0
• 氢受体数：
  1

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
• 储存条件：
  室温

SDS

---

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 7-Bromoimidazo[1,2-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

---

SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
T Toxic R25
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
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.

---

SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 197,04 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
7-Bromoimidazo[1,2-A]Pyridine
<= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
7-Bromoimidazo[1,2-A]Pyridine
T, R25 <= 100 %

---

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

---

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

---

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.

---

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, acute toxic Cat.3 / toxic hazardous materials or hazardous
materials causing chronic effects
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

---

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.

---

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

---

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
No data available
Hazardous decomposition products
In the event of fire: see section 5

---

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

---

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

---

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.

---

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

---

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

---

SECTION 16: Other information
Full text of R-phrases referred to under sections 2 and 3
T Toxic
R25 Toxic if swallowed.
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-溴咪唑并[1,2-a]吡啶 在 N-碘代丁二酰亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以74%的产率得到7-溴-3-碘H-咪唑并[1,2-a]吡啶
  参考文献：
  名称：

  [EN] MDM2 DEGRADERS AND USES THEREOF
  [FR] AGENTS DE DÉGRADATION DE MDM2 ET LEURS UTILISATIONS

  摘要：

  本发明涉及化合物和方法，通过本发明的化合物对小鼠双分子2同源蛋白（"MDM2"）蛋白进行泛素化和/或降解的调节。

  公开号：

  WO2021188948A1
• 作为产物：
  描述：

  氯乙醛 、 2-氨基-4-溴吡啶 以 正丁醇 为溶剂， 生成 7-溴咪唑并[1,2-a]吡啶
  参考文献：
  名称：

  通过基于结构的NEK2抑制剂优化发现咪唑并[1,2-a]吡啶-噻吩衍生物作为急性髓细胞白血病的FLT3和FLT3突变体抑制剂

  摘要：

  具有内部串联重复 (ITD) 突变的 FMS 样酪氨酸激酶 3 (FLT3) 已被验证为急性髓性白血病 (AML) 的驱动病变和治疗靶点。目前，几种有效的小分子FLT3激酶抑制剂正在评估或已完成临床试验评估。然而，这些抑制剂中的许多都受到激酶结构域二级突变的挑战​​，尤其是激活环 (D835) 和守门残基 (F691) 处的点突变。为了克服耐药性挑战，我们从 NIMA 相关激酶 2 (NEK2) 激酶抑制剂CMP3a中鉴定出一系列新的咪唑并[1,2 - a ]吡啶-噻吩衍生物，它们保留了对 FTL3-ITD D835V和 FLT3-的抑制活性。 ITD F691L. 通过这项研究，我们确定了咪唑并[1,2 - a ]吡啶-噻吩衍生物作为 FLT3 的 I 型抑制剂。此外，我们观察到化合物5o作为一种抑制剂，对 FLT3-ITD、FTL3-ITD D835Y和 FLT3-ITD F691L驱动的急性髓性白血病

  DOI：

  10.1016/j.ejmech.2021.113776
• 作为试剂：
  描述：

  (5,7-二甲基-[1,2,4]噻唑并[1,5-a]嘧啶-2-基)甲醇 在 7-溴咪唑并[1,2-a]吡啶 、 三正丁胺 、 三(三甲基硅烷基)硅烷醇 、 C₄₅H₃₀N₆ 、 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 40.0 ℃ 、600.01 kPa 条件下， 反应 72.5h， 生成 2,4,6-Trimethyl-1,3,3a,7-tetraaza-inden
  参考文献：
  名称：

  连续流动可在药物化学环境中催化金属光氧化还原催化：加速优化和苄基氯化物与芳基溴化物之间还原性偶联的文库执行。

  摘要：

  连续流已广泛用于过程化学和学术场合中的各种应用。然而，尽管存在有效的，可再现的流动系统，但最初的反应发现通常仍是“批料排斥的”。我们在此公开了一种工作流程，以弥合早期药物化学工作与工艺规模开发之间的差距，这是通过金属氯氧还蛋白催化的苄基氯化物与芳基溴化物之间的交叉偶联的发现和优化，然后由两个复杂的像化合物。

  DOI：

  10.1021/acs.orglett.9b04117

文献信息

• [EN] VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO<br/>[FR] ANTAGONISTES DU RÉCEPTEUR DE LA VASOPRESSINE, PRODUITS ET PROCÉDÉS ASSOCIÉS
  申请人：BLACKTHORN THERAPEUTICS INC

  公开号：WO2019050988A1

  公开（公告）日：2019-03-14

  Compounds are provided that antagonize vasopressin receptors, particularly the V1a receptor products containing such compounds, as well as to methods of their use and synthesis. Such compounds have the structure of Formula (I), or a pharmaceutically acceptable isomer, racemate, hydrate, solvate, isotope, or salt thereof: (I) wherein Q1, Q2, Q3, R2a, R2b, R3 and X are as defined herein.

  提供了拮抗加压素受体的化合物，特别是含有这些化合物的V1a受体产品，以及它们的使用和合成方法。这些化合物具有以下结构的结构（I），或其药学上可接受的异构体、消旋体、水合物、溶剂合物、同位素或盐：（I）其中Q1、Q2、Q3、R2a、R2b、R3和X如本文所定义。
• [EN] IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDINE EN TANT QU'INHIBITEURS DE TYROSINES KINASES RÉCEPTRICES
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2009150240A1

  公开（公告）日：2009-12-17

  The invention relates to new bicyclic heterocyclic derivative compounds, to pharmaceutical compositions comprising said compounds and to the use of said compounds in the treatment of diseases, e.g. cancer.

  这项发明涉及新的双环杂环衍生物化合物，包括含有该化合物的药物组合物，以及利用该化合物治疗疾病，例如癌症。
• Copper-Catalyzed Hydroxylation of (Hetero)aryl Halides under Mild Conditions
  作者：Shanghua Xia、Lu Gan、Kailiang Wang、Zheng Li、Dawei Ma

  DOI：10.1021/jacs.6b08114

  日期：2016.10.19

  powerful catalytic system for hydroxylation of (hetero)aryl halides. A wide range of (hetero)aryl chlorides bearing either electron-donating or -withdrawing groups proceeded well at 130 °C, delivering the corresponding phenols and hydroxylated heteroarenes in good to excellent yields. When more reactive (hetero)aryl bromides and iodides were employed, the hydroxylation reactions completed at relatively

  Cu(acac)2 和 N,N'-双(4-羟基-2,6-二甲基苯基)草酰胺 (BHMPO) 的组合为（杂）芳基卤化物的羟基化提供了强大的催化系统。各种带有给电子或吸电子基团的（杂）芳基氯化物在 130 °C 下均能很好地进行，以良好到极好的产率提供相应的酚类和羟基化杂芳烃。当使用反应性更强的（杂）芳基溴化物和碘化物时，羟基化反应在相对较低的温度（分别为 80 和 60 °C）下在低催化负载（0.5 mol% Cu）下完成。
• Discovery of CPI-1612: A Potent, Selective, and Orally Bioavailable EP300/CBP Histone Acetyltransferase Inhibitor
  作者：Jonathan E. Wilson、Gaurav Patel、Chirag Patel、Francois Brucelle、Annissa Huhn、Anna S. Gardberg、Florence Poy、Nico Cantone、Archana Bommi-Reddy、Robert J. Sims、Richard T. Cummings、Julian R. Levell

  DOI：10.1021/acsmedchemlett.0c00155

  日期：2020.6.11

  inflammatory disorders, and neurodegeneration. A novel, highly potent, orally bioavailable EP300/CBP histone acetyltransferase (HAT) inhibitor, CPI-1612 or 17, was developed from the lead compound 3. Replacement of the indole scaffold of 3 with the aminopyridine scaffold of 17 led to improvements in potency, solubility, and bioavailability. These characteristics resulted in a 20-fold lower efficacious

  组蛋白乙酰基转移酶，CREB结合蛋白（CBP）和EP300是主要的转录共调节剂，与多种疾病有关，例如癌症，炎症性疾病和神经变性。从铅化合物3开发了一种新型的高效口服生物利用EP300 / CBP组蛋白乙酰转移酶（HAT）抑制剂CPI-1612或17。用17的氨基吡啶支架替换3的吲哚支架导致效力，溶解度和生物利用度的提高。在JEKO-1肿瘤小鼠异种移植研究中，这些特性导致17的有效剂量相对于铅3降低了20倍。
• [EN] SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROARYLE SUBSTITUÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2019099311A1

  公开（公告）日：2019-05-23

  The present invention provides novel heteroaryl compounds, pharmaceutical acceptable salts and formulations thereof. They are useful in preventing, managing, treating or lessening the severity of a protein kinase-mediated disease. The invention also provides pharmaceutically acceptable compositions comprising such compounds and methods of using the compositions in the treatment of protein kinase-mediated disease.

  本发明提供了新颖的杂环芳基化合物，其药用盐和制剂。它们在预防、管理、治疗或减轻蛋白激酶介导的疾病的严重程度方面是有用的。该发明还提供了包括这些化合物的药用组合物以及使用这些组合物治疗蛋白激酶介导的疾病的方法。