咪唑并[1,2-a]吡啶-2-羧酸 | 64951-08-2

• 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: 咪唑并[1,2-a]吡啶-2-羧酸
• 中文别名: 咪唑[1,2-A]吡啶-2-羧酸；2-羧酸苯并咪唑；咪唑并[1,2-a]吡啶-2-甲酸；咪唑并[1,2-A!吡啶-2-羧酸；咪唑并[1,2-A]吡啶-2-羧酸
• 英文名称: imidazo[1,2-a]pyridine-2-carboxylic acid
• 英文别名: imidazo<1,2-a>pyridine-2-carboxylic acid；imidazo[1,2-a]pyridine-2-carboxylic acid；imidazo[1,2a]pyridine-2-carboxylic acid；Imidazo<1,2-a>pyridin-2-carbonsaeure
• CAS: 64951-08-2
• 化学式: C₈H₆N₂O₂
• mdl: MFCD03419462
• 分子量: 162.148
• InChiKey: WQLJLPDGSLZYEP-UHFFFAOYSA-N

物化性质

• 熔点：
  232-234℃
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090
• WGK Germany：
  3
• 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

Name:	Imidazo[1 2-a]pyridine-2-carboxylic acid Material Safety Data Sheet
Synonym:
CAS:	64951-08-2

Section 1 - Chemical Product MSDS Name:Imidazo[1 2-a]pyridine-2-carboxylic acid Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
64951-08-2	Imidazo[1,2-a]pyridine-2-carboxylic ac	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 cool, dry place. Store in a tightly closed container.

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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# 64951-08-2: 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: Solid
Color: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 232 - 234 deg C
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: C8H6N2O2
Molecular Weight: 162.15

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents, strong bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 64951-08-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Imidazo[1,2-a]pyridine-2-carboxylic acid - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 64951-08-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64951-08-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64951-08-2 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：

  咪唑并[1,2-a]吡啶-2-羧酸 在 氧化铂 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以to afford the sub-title compound (500 mg, 97%)的产率得到5,6,7,8-四氢咪唑并[1,2-A]吡啶-2-羧酸
  参考文献：
  名称：

  Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors

  摘要：

  本发明提供了一个式子(I)的化合物，其中变量在此处定义；提供制备此化合物的方法；以及将此化合物用于治疗PDE4介导的疾病状态的用途。

  公开号：

  US20090233907A1
• 作为产物：
  描述：

  2-氨基吡啶 在 sodium hydroxide 作用下， 以 乙二醇二甲醚 、 乙醇 、 水 为溶剂， 生成 咪唑并[1,2-a]吡啶-2-羧酸
  参考文献：
  名称：

  fluazaindolizine的发现：一种用于控制植物寄生线虫的新产品。

  摘要：

  Fluazaindolizine是控制植物寄生线虫的新型高效选择性产品。线虫的特异性加上对商业杀线虫剂的靶位点缺乏活性表明氟氮吲哚嗪具有新颖的作用方式。介绍了这种新型杀线虫剂的发现，结构活性的发展和生物学特性。

  DOI：

  10.1016/j.bmcl.2017.02.029

文献信息

• [EN] MODULATORS OF THE INTEGRATED STRESS PATHWAY<br/>[FR] MODULATEURS DE LA VOIE DE RÉPONSE INTÉGRÉE AU STRESS
  申请人：CALICO LIFE SCIENCES

  公开号：WO2017193063A1

  公开（公告）日：2017-11-09

  Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases; disorders and conditions.

  本文提供了用于调节综合应激反应（ISR）并治疗相关疾病、疾患和症状的化合物、组合物和方法。
• CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US20180022760A1

  公开（公告）日：2018-01-25

  To provide novel pesticides, especially insecticides or acaricides. A condensed heterocyclic compound represented by the formula (1) or its salt or an N-oxide thereof: wherein D substituted with —S(O) n R 1 is a ring represented by any one of D1, D2 and D3, Q is a ring represented by any one of Q1, Q2, Q3 and Q4, R 1 is C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, (C 1 -C 6 ) alkyl optionally substituted with R 1a , C 2 -C 6 alkenyl, C 2 -C 6 haloalkenyl, C 2 -C 6 alkynyl, C 2 -C 6 haloalkynyl, C 3 -C 6 cycloalkyl, C 3 -C 6 halocycloalkyl, C 3 -C 6 cycloalkyl (C 1 -C 6 ) alkyl, C 3 -C 6 halocycloalkyl (C 1 -C 6 ) alkyl or hydroxy (C 1 -C 6 ) alkyl, R 1a is C 1 -C 8 alkoxycarbonyl, and n is an integer of 0, 1 or 2.

  提供新型杀虫剂，特别是杀虫剂或杀螨剂。由式（1）表示的缩合杂环化合物或其盐或其N-氧化物： 其中D被—S(O)nR1取代，是由D1、D2和D3中的任何一个表示的环，Q是由Q1、Q2、Q3和Q4中的任何一个表示的环，R1是C1-C6烷基，C1-C6卤代烷基，（C1-C6）烷基，可选地取代R1a，C2-C6烯基，C2-C6卤代烯基，C2-C6炔基，C2-C6卤代炔基，C3-C6环烷基，C3-C6卤代环烷基，C3-C6环烷基（C1-C6）烷基，C3-C6卤代环烷基（C1-C6）烷基或羟基（C1-C6）烷基，R1a是C1-C8烷氧羰基，n是0、1或2的整数。
• Highly Selective Dopamine D₃ Receptor (D₃R) Antagonists and Partial Agonists Based on Eticlopride and the D₃R Crystal Structure: New Leads for Opioid Dependence Treatment
  作者：Vivek Kumar、Alessandro Bonifazi、Michael P. Ellenberger、Thomas M. Keck、Elie Pommier、Rana Rais、Barbara S. Slusher、Eliot Gardner、Zhi-Bing You、Zheng-Xiong Xi、Amy Hauck Newman

  DOI：10.1021/acs.jmedchem.6b00860

  日期：2016.8.25

  The recent and precipitous increase in opioid analgesic abuse and overdose has inspired investigation of the dopamine D3 receptor (D3R) as a target for therapeutic intervention. Metabolic instability or predicted toxicity has precluded successful translation of previously reported D3R-selective antagonists to clinical use for cocaine abuse. Herein, we report a series of novel and D3R crystal structure-guided

  阿片类镇痛剂滥用和药物过量的近期急剧增加激发了对多巴胺D 3受体（D 3 R）作为治疗干预目标的研究。代谢的不稳定性或预期的毒性阻止了先前报道的D 3 R选择性拮抗剂成功转化为可卡因滥用的临床应用。在本文中，我们报道了一系列新颖且由D 3 R晶体结构引导的4-苯基哌嗪，它们具有异常高的D 3 R亲和力和/或选择性，且具有不同的功效。铅化合物19 d：基于其在体外资料被选择的3 - [R ķ我= 6.84纳米，1700倍d 3R对D 2 R的结合选择性及其在小鼠微粒体内的代谢稳定性。化合物19抑制了羟考酮诱导的小鼠过度运动，并降低了羟考酮诱导的运动敏化。此外，用19进行预处理还可以剂量依赖性地抑制大鼠中羟考酮诱导的条件性位置偏爱（CPP）的获得。这些发现支持D 3 R作为阿片类药物依赖性治疗的靶标，并支持化合物19作为开发的新的先导分子。
• N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors
  申请人：BAGLEY SCOTT WILLIAM

  公开号：US20110111046A1

  公开（公告）日：2011-05-12

  The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of the compound, wherein R 1 , R 2 , R 3 and R 4 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl-CoA carboxylase enzyme(s) in an animal.

  该发明提供了化合物I的化合物或其药用可接受的盐，其中R1、R2、R3和R4如本文所述；以及其药物组合物；以及在治疗受乙酰辅酶A羧化酶抑制调节的动物疾病、症状或紊乱中的使用。
• NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE
  申请人：Bischoff Alexander

  公开号：US20100160323A1

  公开（公告）日：2010-06-24

  The present invention relates to piperazine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为硬脂酰辅酶A去饱和酶抑制剂的哌嗪衍生物。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。