N-[2-(2-甲氧基苯基)乙基]-脲 | 69226-62-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: N-[2-(2-甲氧基苯基)乙基]-脲
• 中文别名: N-(2-甲氧基苯乙基)脲
• 英文名称: (2-methoxy-phenethyl)-urea
• 英文别名: (2-Methoxy-phenaethyl)-harnstoff；Urea, (2-methoxyphenethyl)-；2-(2-methoxyphenyl)ethylurea
• CAS: 69226-62-6
• 化学式: C₁₀H₁₄N₂O₂
• mdl: MFCD00174101
• 分子量: 194.233
• InChiKey: DFPQFTAOLRRSFE-UHFFFAOYSA-N

物化性质

• 熔点：
  96 °C
• 沸点：
  330.1±34.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2924299090

SDS

Name:	n-(2-Methoxyphenethyl)urea 97% Material Safety Data Sheet
Synonym:
CAS:	69226-62-6

Section 1 - Chemical Product MSDS Name:n-(2-Methoxyphenethyl)urea 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
69226-62-6	N-(2-methoxyphenethyl)urea	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# 69226-62-6: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 94 - 96 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: C10H14N2O2
Molecular Weight: 194

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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.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 69226-62-6: YT6330000 LD50/LC50:
Not available.
Carcinogenicity:
N-(2-methoxyphenethyl)urea - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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# 69226-62-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 69226-62-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 69226-62-6 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：

  N-[2-(2-甲氧基苯基)乙基]-脲 、 二乙基丙二酸二乙酯 在 sodium ethanolate 作用下， 生成 5,5-二乙基-1-(2-甲氧基苯乙基)巴比妥酸
  参考文献：
  名称：

  Derivatives of β-Phenylethylamines and β-Phenylethylmethylamines

  摘要：

  DOI：

  10.1021/ja01322a047
• 作为产物：
  描述：

  potassium cyanate 、 2-甲氧基苯乙胺 生成 N-[2-(2-甲氧基苯基)乙基]-脲
  参考文献：
  名称：

  Derivatives of β-Phenylethylamines and β-Phenylethylmethylamines

  摘要：

  DOI：

  10.1021/ja01322a047

文献信息

• [EN] ERK INHIBITORS<br/>[FR] INHIBITEURS D'ERK
  申请人：MERCK SHARP & DOHME

  公开号：WO2016100050A1

  公开（公告）日：2016-06-23

  The present invention provides a compound of Formula (I) or the pharmaceutically acceptable salts, esters, and prodrugs thereof, which are ERK2 inhibitors. The invention also provides a pharmaceutical composition comprising an effective amount of at least one compound of Formula (I) and a pharmaceutically acceptable carrier. The invention also provides a pharmaceutical composition comprising an effective amount of at least one compound of Formula (I) and an effective amount of at least one other pharmaceutically active ingredient (such as, for example, a chemotherapeutic agent), and a pharmaceutically acceptable carrier.

  本发明提供了一种化合物(I)或其药学上可接受的盐、酯和前药，这些化合物是ERK2抑制剂。该发明还提供了一种包括至少一种化合物(I)和药学上可接受的载体的有效量的药物组合物。该发明还提供了一种包括至少一种化合物(I)的有效量和至少一种其他药学活性成分的有效量（例如，化疗药物等）以及药学上可接受的载体的药物组合物。
• [EN] NOVEL COMPOUNDS THAT ARE ERK INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS QUI SONT DES INHIBITEURS D'ERK
  申请人：MERCK SHARP & DOHME

  公开号：WO2013063214A1

  公开（公告）日：2013-05-02

  Disclosed are the ERK inhibitors of formula (1): and the pharmaceutically acceptable salts thereof. Also disclosed are methods of treating cancer using the compounds of formula (1).

  公开的是具有式(1)的ERK抑制剂及其药学上可接受的盐。还公开了使用式(1)的化合物治疗癌症的方法。
• NOVEL COMPOUNDS THAT ARE ERK INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2770987A1

  公开（公告）日：2014-09-03
• ERK INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3233858A1

  公开（公告）日：2017-10-25