2-氨基-4-甲基硫代苯-3-氨甲酰 | 4651-97-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 2-氨基-4-甲基硫代苯-3-氨甲酰
• 中文别名: 2-氨基-4-甲基噻吩-3-甲酰胺
• 英文名称: 2-amino-4-methylthiophene-3-carboxamide
• CAS: 4651-97-2
• 化学式: C₆H₈N₂OS
• 分子量: 156.208
• InChiKey: AXLIJQRGPVJGSO-UHFFFAOYSA-N

物化性质

• 熔点：
  172 °C
• 沸点：
  277℃
• 密度：
  1.344
• 闪点：
  121℃
• 稳定性/保质期：
  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  97.4
• 氢给体数：
  2
• 氢受体数：
  3

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,S36/37/39
• 储存条件：
  常温、避光、通风干燥处，密封保存。

SDS

Name:	2-Amino-4-methylthiophene-3-carboxamide 97% Material Safety Data Sheet
Synonym:
CAS:	4651-97-2

Section 1 - Chemical Product MSDS Name:2-Amino-4-methylthiophene-3-carboxamide 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4651-97-2	2-Amino-4-methylthiophene-3-carboxamid	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4651-97-2: 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: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 173 - 175 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: C6H8N2OS
Molecular Weight: 156

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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, acid chlorides.
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# 4651-97-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-4-methylthiophene-3-carboxamide - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 4651-97-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4651-97-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4651-97-2 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：

  2-氨基-4-甲基硫代苯-3-氨甲酰 在 吡啶 、 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 溶剂黄146 作用下， 以 四氯化碳 、 乙腈 为溶剂， 反应 22.0h， 生成 ethyl 5-(bromomethyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-2-carboxylate
  参考文献：
  名称：

  WO2008/149191

  摘要：

  公开号：

文献信息

• [EN] METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS<br/>[FR] METHODES ET COMPOSITIONS A BASE DE NOUVEAUX COMPOSES DE TRIAZINE
  申请人：REDDY US THERAPEUTICS INC

  公开号：WO2004026844A1

  公开（公告）日：2004-04-01

  The present invention relates to methods and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses. In particular, the present invention is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention relates to compounds that inhibit smooth muscle proliferation. In particular, the present invention is directed to compounds that inhibit smooth muscle cell proliferation by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis.

  本发明涉及包含治疗由炎症反应引起的病理生理状况的化合物的方法和组合物。特别是，本发明涉及抑制或阻断在内皮细胞中由糖化蛋白产生的与信号传递相关的炎症反应的化合物。本发明还涉及抑制平滑肌细胞增殖的化合物。特别是，本发明涉及通过调节诸如Perlecan的HSPGs来抑制平滑肌细胞增殖的化合物。本发明进一步涉及使用化合物来治疗由平滑肌增殖特征的心血管闭塞性状况，如再狭窄和动脉粥样硬化。
• Methods and compositions of novel triazine compounds
  申请人：——

  公开号：US20040224950A1

  公开（公告）日：2004-11-11

  The present invention relates to methods and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses. In particular, the present invention is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention relates to compounds that inhibit smooth muscle proliferation. In particular, the present invention is directed to compounds that inhibit smooth muscle cell proliferation by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis.

  本发明涉及包含治疗由炎症反应引起的病理生理状况的化合物的方法和组合物。特别是，本发明旨在使用化合物来抑制或阻断在内皮细胞中由糖化蛋白产生的与信号传导相关的炎症反应。本发明还涉及抑制平滑肌增殖的化合物。特别是，本发明旨在使用通过调节如Perlecan之类的HSPGs来抑制平滑肌细胞增殖的化合物。本发明进一步涉及使用化合物来治疗由平滑肌增殖特征的心血管闭塞性状况，如再狭窄和动脉粥样硬化。
• ALLOSTERIC ENHANCERS OF THE A1 ADENOSINE RECEPTOR
  申请人：Baraldi Pier Giovanni

  公开号：US20090281145A1

  公开（公告）日：2009-11-12

  The present invention provides compounds of formula (I) wherein W, R 1 , R 5 and R 6 have a meaning as defined herein in the specification. The compounds of formula (I) are allosteric enhancers of the A 1 adenosine receptor and, thus, may be employed for the treatment of conditions mediated by the A 1 adenosine receptor. Accordingly, the compounds of formula (I) may be employed for treatment of pain, in particular, chronic pain such as neuropathic pain, and inflammatory pain, cardiac disease or disorder such as cardiac disarrhythmias, e.g., peroxysmal supraventricular tachycardia, angina, myocardial infarction and stroke, neurological disease or injury, sleep disorders, epilepsy and depression.

  本发明提供了式(I)的化合物 其中W，R1，R5和R6在本说明书中定义的含义。式(I)的化合物是A1腺苷受体的变构增强剂，因此可用于治疗由A1腺苷受体介导的疾病。因此，式(I)的化合物可用于治疗疼痛，特别是神经病性疼痛、炎症性疼痛、心脏疾病或紊乱，如心律失常，例如阵发性室上性心动过速，心绞痛，心肌梗死和中风，神经疾病或损伤，睡眠障碍，癫痫和抑郁症的治疗。
• Triazine compounds and their analogs, compositions, and methods
  申请人：Timmer T. Richard

  公开号：US20050227983A1

  公开（公告）日：2005-10-13

  The present invention relates to triazine compounds and their analogs and derivatives, and methods and compositions comprising these compounds. The compounds and compositions of this invention are useful for, among other things, treating pathophysiological conditions arising from inflammatory responses, inhibiting or blocking glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells, inhibiting smooth muscle proliferation, treating vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis, and the like.

  本发明涉及三嗪化合物及其类似物和衍生物，以及包含这些化合物的方法和组合物。本发明的化合物和组合物可用于治疗由炎症反应引起的病理生理条件，抑制或阻断糖化蛋白诱导内皮细胞中与信号相关的炎症反应，抑制平滑肌增殖，治疗以平滑肌增殖为特征的血管闭塞性疾病，如再狭窄和动脉粥样硬化等。
• [EN] INHIBITORS OF JUN N-TERMINAL KINASE<br/>[FR] INHIBITEURS DE L'ENZYME JUN N-TERMINAL KINASE
  申请人：ELAN PHARM INC

  公开号：WO2010091310A1

  公开（公告）日：2010-08-12

  The present disclosure provides inhibitors of c-Jun N-terminal kinases (JNK) having a structure according to the following formula (I): or a salt or solvate thereof, wherein ring A, Ca, Cb, Z, R5, W and Cy are defined herein. The disclosure further provides pharmaceutical compositions including the compounds of the present disclosure and methods of making and using the compounds and compositions of the present disclosure, e.g., in the treatment and prevention of various disorders, such as Alzheimer's disease.

  本公开提供了具有以下结构的c-Jun N-末端激酶（JNK）抑制剂（I）的结构，或其盐或溶剂化物，其中环A，Ca，Cb，Z，R5，W和Cy在此处定义。本公开还提供了包括本公开化合物的药物组合物，以及制备和使用本公开化合物和组合物的方法，例如在治疗和预防各种疾病，如阿尔茨海默病。