5-甲氧基三阿咪唑 | 13797-77-8

• 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: 5-甲氧基三阿咪唑
• 中文别名: 5-甲氧基噻唑并[5,4-b]吡啶-2-胺；5-甲氧基-[1,3]噻唑并[5,4-b]吡啶-2-胺
• 英文名称: 5-methoxythiazolo[5,4-b]pyridin-2-amine
• 英文别名: 2-amino-5-methoxythiazolo<5,4-b>-pyridine；2-Amino-5-methoxythiazolo<5,4-b>pyridine；2-amino-6-methoxythiazolo<5,4-b>pyridine；2-amino-5-methoxy-thiazolo[5,4-b]pyridine；5-methoxy-thiazolo[5,4-b]pyridin-2-ylamine；5-Methoxy-thiazolo[5,4-b]pyridin-2-ylamin；5-Methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
• CAS: 13797-77-8
• 化学式: C₇H₇N₃OS
• mdl: MFCD00100555
• 分子量: 181.218
• InChiKey: LLPVJZMTIYQTGU-UHFFFAOYSA-N

物化性质

• 熔点：
  192-193 °C
• 沸点：
  335.1±45.0 °C(Predicted)
• 密度：
  1.440±0.06 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：
  0.142
• 拓扑面积：
  89.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 安全说明：
  S26,S37/39
• 储存条件：
  储存温度应保持在2-8°C，并避免光照。

SDS

Name:	5-Methoxypyrido[3 2-d][1 3]thiazol-2-amine 97% Material Safety Data Sheet
Synonym:
CAS:	13797-77-8

Section 1 - Chemical Product MSDS Name:5-Methoxypyrido[3 2-d][1 3]thiazol-2-amine 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13797-77-8	5-Methoxypyrido[3,2-d][1,3]thiazol-2-a	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# 13797-77-8: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 193 - 194 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: C7H7N3OS
Molecular Weight: 181.21

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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, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13797-77-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Methoxypyrido[3,2-d][1,3]thiazol-2-amine - 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# 13797-77-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13797-77-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13797-77-8 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：

  5-甲氧基三阿咪唑 在 亚硝酸特丁酯 、 copper(ll) bromide 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以90%的产率得到2-bromo-5-methoxythiazolo[5,4-b]pyridine
  参考文献：
  名称：

  [EN] BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS
  [FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS PAR HÉTÉROARYLE

  摘要：

  公开了公式(I)至(VIII)的化合物：(I) (II) (III) (IV) (V) (VI) (VII) (VIII)；或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中R3是与0至3个R3a取代的双环杂芳基团；且R1、R2、R3a、R4和n在此定义。还公开了使用这些化合物作为PAR4抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物用于抑制或预防血小板聚集，用于治疗血栓栓塞障碍或作为血栓栓塞障碍的初级预防。

  公开号：

  WO2018013774A1
• 作为产物：
  描述：

  5-氨基-2-甲氧基吡啶 在 溴 、 potassium thioacyanate 作用下， 以 溶剂黄146 为溶剂， 反应 2.0h， 生成 5-甲氧基三阿咪唑
  参考文献：
  名称：

  [EN] SUBSTITUTED (THIAZOL-2-YL) -AMIDE OR SULFONAMIDE AS GLYCOKINASE ACTIVATORS USEFUL IN THE TREATMENT OF TYPE 2 DIABETES
  [FR] SULFAMIDE OU AMIDE A SUBSTITUTION (THIAZOL-2-YL) UTILE EN TANT QU'ACTIVATEUR DE GLYCOKINASE DANS LE TRAITEMENT DU DIABETE DE TYPE 2

  摘要：

  公式（I）的化合物提供了药理活性剂，这些活性剂是葡萄糖激酶激活剂，因此可用于治疗葡萄糖激酶介导的疾病。因此，公式（I）的化合物可用于预防和治疗糖耐量受损、2型糖尿病和肥胖症，其中Q是公式（II）或公式（III），R是公式（IV）或（V）或（VI）中的基团，其中Y，R1-R6，R12和R13如描述中所定义。

  公开号：

  WO2004050645A1

文献信息

• NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES
  申请人：Hebeisen Paul

  公开号：US20090143448A1

  公开（公告）日：2009-06-04

  Compounds of formula (I) as well as pharmaceutically acceptable salts and esters thereof, wherein R 1 to R 3 have the significance given in claim 1 and which can be used in the form of pharmaceutical compositions.

  式(I)的化合物以及其药用可接受的盐和酯，其中R1至R3具有权利要求1中给定的含义，并可用于制成药物组合物。
• TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF
  申请人：SHANGHAI DE NOVO PHARMATECH CO LTD.

  公开号：US20140329800A1

  公开（公告）日：2014-11-06

  The present invention relates to a tri-heterocyclic derivatives, preparation process and uses thereof, specifically relates to a tri-heterocyclic derivatives of the formula (I) or a pharmaceutically acceptable salt thereof, preparation process, and further relates to a pharmaceutically acceptable composition comprising compounds of formula (I), or a pharmaceutically acceptable salt thereof, and their pharmaceutical use as inhibitors of kinase.

  本发明涉及一种三杂环衍生物，其制备过程及用途，具体涉及公式(I)的三杂环衍生物或其药学上可接受的盐，制备过程，并进一步涉及包含公式(I)化合物或其药学上可接受的盐的药学上可接受的组合物，以及它们作为激酶抑制剂的药用。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2012035055A1

  公开（公告）日：2012-03-22

  The invention is directed to certain novel compounds. Specifically, the invention directed to compounds of formula (I) and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular Itk activity.

  这项发明涉及某些新颖的化合物。具体地，该发明涉及公式（I）的化合物及其盐。该发明的化合物是激酶活性抑制剂，特别是Itk活性的抑制剂。
• Polymerizable compound, polymerizable composition, polymer, and optically anisotropic material
  申请人：ZEON CORPORATION

  公开号：US09512251B2

  公开（公告）日：2016-12-06

  The present invention relates to: a polymerizable compound (I), wherein Y1 to Y6 are a chemical single bond, —O—C(═O)—, —C(═O)—O— or the like, G1 and G2 are a divalent aliphatic group, Z1 and Z2 are an alkenyl group, Ax is a fused ring group represented by a formula (II), wherein X is —NR3—, an oxygen atom, a sulfur atom or the like, R3 is a hydrogen atom or an alkyl group having 1 to 6 carbon atoms, and D is a substituted or unsubstituted ring having 1 to 20 carbon atoms that includes at least one nitrogen atom, Ay is a hydrogen atom, an alkyl group, A1 is a trivalent aromatic group or the like, A2 and A3 are a divalent aromatic group having 6 to 30 carbon atoms or the like, and Q1 is a hydrogen atom, or an alkyl group having 1 to 6 carbon atoms.

  本发明涉及：一种可聚合化合物（I），其中Y1至Y6是化学单键、—O—C(═O)—、—C(═O)—O—或类似结构，G1和G2是二价脂肪族基团，Z1和Z2是烯丙基团，Ax是由公式（II）表示的融合环组，其中X是—NR3—，一个氧原子，一个硫原子或类似结构，R3是氢原子或具有1至6个碳原子的烷基团，D是包含至少一个氮原子的有1至20个碳原子的取代或未取代环，Ay是氢原子、烷基团，A1是三价芳香族基团或类似结构，A2和A3是具有6至30个碳原子的二价芳香族基团或类似结构，Q1是氢原子，或具有1至6个碳原子的烷基团。
• [EN] TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF<br/>[FR] DÉRIVÉS TRIHÉTÉROCYCLIQUES, PROCÉDÉ DE PRÉPARATION ET UTILISATIONS DE CEUX-CI
  申请人：SHANGHAI DE NOVO PHARMATECH CO LTD

  公开号：WO2013091502A1

  公开（公告）日：2013-06-27

  The present invention relates to a tri-heterocyclic derivatives, preparation process and uses thereof, specifically relates to a tri-heterocyclic derivatives of the formula (I) or a pharmaceutically acceptable salt thereof, preparation process, and further relates to a pharmaceutically acceptable composition comprising compounds of formula (I), or a pharmaceutically acceptable salt thereof, and their pharmaceutical use as inhibitors of kinase.

  本发明涉及一种三杂环衍生物，其制备方法及用途，具体涉及公式(I)的三杂环衍生物或其药学上可接受的盐，制备方法，并进一步涉及包括公式(I)化合物或其药学上可接受的盐的药学上可接受的组合物，以及它们作为激酶抑制剂的药用。