2-溴-1-(2-吡啶基)-1-乙酮氢溴酸 | 17570-98-8

• 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 - 有机氧化合物
• 中文名称: 2-溴-1-(2-吡啶基)-1-乙酮氢溴酸
• 中文别名: 2-(溴乙酰基)吡啶氢溴酸盐；2-溴乙酰基吡啶氢溴酸盐；2-溴-1-(2-吡啶基)-1-乙酮 氢溴酸
• 英文名称: 2-(bromoacetyl)pyridine hydrobromide
• 英文别名: 2-bromo-1-pyridin-2-yl ethanone hydrobromide；2-bromo-1-(pyridin-2-yl)ethan-1-one hydrobromide；2-bromo-1-(2-pyridyl)ethanone hydrobromide；2-bromo-1-(2-pyridyl)-1-ethanone hydrobromide；2-α-bromoacetylpyridine hydrobromide；2-bromo-1-(pyridine-2-yl)ethanone hydrobromide；2-bromo-1-(2-pyridyl)ethan-1-one hydrobromide；2-bromo-1-pyridin-2-ylethanone;hydron;bromide
• CAS: 17570-98-8
• 化学式: BrH*C₇H₆BrNO
• mdl: MFCD02181196
• 分子量: 280.947
• InChiKey: BYKVUGZUYJUSKD-UHFFFAOYSA-N

物化性质

• 熔点：
  205 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.42
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  31.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• WGK Germany：
  3
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P260,P264,P270,P280,P301+P330+P331,P303+P361+P353,P304+P340,P305+P351+P338,P310,P363,P405,P501
• 危险品运输编号：
  3261
• 危险性描述：
  H302,H314
• 储存条件：
  室温

SDS

Name:	2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide 97% Material Safety Data Sheet
Synonym:
CAS:	17570-98-8

Section 1 - Chemical Product MSDS Name:2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
17570-98-8	2-Bromo-1-(2-pyridinyl)-1-ethanone hy	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.) Store under an inert atmosphere.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17570-98-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystals
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H7Br2NO
Molecular Weight: 280.95

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17570-98-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 17570-98-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17570-98-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17570-98-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-溴-1-(2-吡啶基)-1-乙酮氢溴酸 在 盐酸 、 sodium acetate 作用下， 以 水 为溶剂， 反应 3.5h， 生成 2-(α-hydroxyacetyl)pyridine
  参考文献：
  名称：

  MAT2A抑制剂、药物组合物及其用途

  摘要：

  本发明提供了一种MAT2A抑制剂、药物组合物及其用途，该MAT2A抑制剂的结构如通式(I)所示，各取代基的定义如说明书所述。本发明提供的式(I)化合物具有显著的MAT2A的抑制活性，能够用于预防和/或治疗蛋氨酸腺苷转移酶(MAT)介导的疾病或疾病状态。#imgabs0#

  公开号：

  CN117343081A
• 作为产物：
  描述：

  4-乙酰吡啶 在 氢溴酸 、 溴 、 溶剂黄146 作用下， 以 水 为溶剂， 以90%的产率得到2-溴-1-(2-吡啶基)-1-乙酮氢溴酸
  参考文献：
  名称：

  N-substituted pyrrolopyridinones active as kinase inhibitors

  摘要：

  由式（I）表示的化合物 其中A，R1，R2，R3，R4，R5和R6如规范中所定义，其药物组成物以及其使用方法。

  公开号：

  US20070142414A1

文献信息

• [EN] HISTONE DEMETHYLASE INHIBITORS<br/>[FR] INHIBITEURS D'HISTONES DÉMÉTHYLASES
  申请人：CHRYSALIS INC

  公开号：WO2017143011A1

  公开（公告）日：2017-08-24

  This disclosure relates to compounds that inhibit histone demethylase activity. In particular, the disclosure relates to compounds that inhibit histone lysine demethylase KDM5B, pharmaceutical compositions and methods of use, such as methods of treating cancer using the compounds and pharmaceutical compositions disclosed herein.

  这份披露涉及抑制组蛋白去甲基化酶活性的化合物。具体而言，该披露涉及抑制组蛋白赖氨酸去甲基化酶KDM5B的化合物，以及使用这些化合物和药物组合物的方法，例如使用本文披露的化合物和药物组合物治疗癌症的方法。
• Synthesis and Evaluation of the 2-Aminothiazoles as Anti-Tubercular Agents
  作者：Edward A. Kesicki、Mai A. Bailey、Yulia Ovechkina、Julie V. Early、Torey Alling、Julie Bowman、Edison S. Zuniga、Suryakanta Dalai、Naresh Kumar、Thierry Masquelin、Philip A. Hipskind、Joshua O. Odingo、Tanya Parish

  DOI：10.1371/journal.pone.0155209

  日期：——

  designing and synthesizing a large number of analogs and testing these for activity against M. tuberculosis, as well as eukaryotic cells. We determined that the C-2 position of the thiazole can accommodate a range of lipophilic substitutions, while both the C-4 position and the thiazole core are sensitive to change. The series has good activity against M. tuberculosis growth with sub-micromolar minimum

  2-氨基噻唑系列对全球重要病原体结核分枝杆菌具有抗菌活性。我们通过设计和合成大量类似物并测试它们对结核分枝杆菌以及真核细胞的活性来探索其活性的本质。我们确定噻唑的 C-2 位可以容纳一系列亲脂性取代，而 C-4 位和噻唑核心都对变化敏感。该系列对结核分枝杆菌生长具有良好的活性，可达到亚微摩尔的最低抑制浓度。与其他细菌相比，代表性的类似物对分枝杆菌物种具有选择性，并且对复制的结核分枝杆菌具有快速杀菌作用。作用方式似乎不涉及铁螯合。我们的结论是，该系列作为新型抗结核药物具有进一步开发的潜力。
• [EN] ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF<br/>[FR] DÉRIVÉS AMINOESTER D'ALCALOÏDES ET COMPOSITION MÉDICINALE LES COMPRENANT
  申请人：CHIESI FARMA SPA

  公开号：WO2011160918A1

  公开（公告）日：2011-12-29

  The present invention relates to alkaloid aminoester derivatives acting as muscarinic receptor antagonists, processes for their preparation, compositions comprising them and therapeutic uses thereof.

  本发明涉及作为毒蕈碱受体拮抗剂的生物碱氨基酸酯衍生物，它们的制备方法，包含它们的组合物及其治疗用途。
• ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF
  申请人：AMARI Gabriele

  公开号：US20110311461A1

  公开（公告）日：2011-12-22

  The present invention relates to alkaloid aminoester compounds which act as muscarinic receptor antagonists, processes for their preparation, compositions comprising them, and therapeutic uses thereof.

  本发明涉及作为毒蕈碱受体拮抗剂的生物碱氨基酸酯化合物、它们的制备方法、包含它们的组合物以及它们的治疗用途。
• ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF
  申请人：AMARI Gabriele

  公开号：US20120276018A1

  公开（公告）日：2012-11-01

  Compounds according to formula (I) are effective for the treatment of broncho-obstructive and inflammatory diseases.

  根据公式(I)的化合物对治疗支气管阻塞和炎症性疾病有效。