4-(2-吗啉-4-乙氧基)苯胺 | 52481-41-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(2-吗啉-4-乙氧基)苯胺
• 中文别名: 4-[2-(4-吗啉基)乙氧基]苯胺；4-(2-吗啉-4-基乙氧基)苯胺
• 英文名称: 4-(2-morpholinoethoxy)aniline
• 英文别名: 4-(2-morpholin-4-ylethoxy)aniline；4-[2-(4-morpholinyl)ethoxy]-benzeneamine
• CAS: 52481-41-1
• 化学式: C₁₂H₁₈N₂O₂
• mdl: MFCD04970981
• 分子量: 222.287
• InChiKey: ZHFFNLQQANCJEQ-UHFFFAOYSA-N

物化性质

• 熔点：
  53 °C
• 沸点：
  150°C/0.005mmHg(lit.)
• 密度：
  1.129±0.06 g/cm3(Predicted)
• 最大波长(λmax)：
  308nm(CH3CN)(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险等级：
  6.1
• 危险品标志：
  Xi,C
• 危险类别码：
  R20/21/22
• 危险品运输编号：
  UN 3261
• 海关编码：
  2934999090
• 安全说明：
  S22,S26,S36/37/39
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312+P330,P302+P352+P312+P362+P364,P304+P340+P312,P305+P351+P338+P337+P313,P501
• 危险性描述：
  H302+H312+H332,H315,H319
• 储存条件：
  存放于惰性气体中，避免与空气接触。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(2-Morpholin-4-ylethoxy)aniline
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H331: Toxic if inhaled
H302: Harmful if swallowed
H312: Harmful in contact with skin
H315: Causes skin irritation
H319: Causes serious eye irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P304+P340:
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(2-Morpholin-4-ylethoxy)aniline
CAS number: 52481-41-1

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels, refrigerated.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C12H18N2O2
Molecular weight: 222.3

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (4-(2-Morpholin-4-ylethoxy)aniline)

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(2-吗啉-4-乙氧基)苯胺 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  WO2007/89149

  摘要：

  公开号：
• 作为产物：
  描述：

  2-吗啉乙醇 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 15.0h， 生成 4-(2-吗啉-4-乙氧基)苯胺
  参考文献：
  名称：

  Discovery of 4-piperazinyl-2-aminopyrimidine derivatives as dual inhibitors of JAK2 and FLT3

  摘要：

  Hybridization strategy is an effective strategy to obtain multi-target inhibitors in drug design. In this study, we assembled the pharmacophores of momelotinib and tandutinib to get a series of 4-piperazinyl-2-aminopyrimidine derivatives. All compounds were tested for the inhibition of JAK2 and FLT3 enzymes, of which, compounds with potent enzyme activities were assayed for antiproliferative activities against three cancer cell lines (HEL, MV4-11, and HL60). The structure-activity relationship studies were conducted through variations in two regions, the "A" phenyl ring and "B" phenyl ring. Compound 14j showed the most balanced in vitro inhibitory activity against JAK2 and FLT3 (JAK2 IC50 = 27 nM, FLT3 IC50 = 30 nM), and it also showed potent inhibition against the above tested cell lines. In the cellular context, 14j strongly induced apoptosis by arresting cell cycle in the G(1)/S phase, and was selected as a promising JAK2/FLT3 dual inhibitor. (C) 2019 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2019.111590

文献信息

• BENZOTHIOPHENE INHIBITORS OF RHO KINASE
  申请人：Kahraman Mehmet

  公开号：US20080021026A1

  公开（公告）日：2008-01-24

  The present invention relates to compounds and methods which may be useful as inhibitors of Rho kinase for the treatment or prevention of disease.

  本发明涉及化合物和方法，这些化合物和方法可能作为Rho激酶的抑制剂在治疗或预防疾病方面有用。
• [EN] PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS<br/>[FR] PYRROLOTRIAZINES EN TANT QU'INHIBITEURS D'ALK ET DE JAK2
  申请人：CEPHALON INC

  公开号：WO2010071885A1

  公开（公告）日：2010-06-24

  The present invention provides a compound of formula (I) or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula (I) has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐形式，其中Q1、Q2、Q3和Q4如本文所定义。式（I）的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• [EN] SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS AS KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIDAZINECARBOXAMIDE SUBSTITUÉS UTILES EN TANT QUE COMPOSÉS INHIBITEURS DE KINASE
  申请人：XCOVERY INC

  公开号：WO2009154769A1

  公开（公告）日：2009-12-23

  Pyridazine derivatives have unexpected drug properties as inhibitors of protein kinases and are useful in treating disorders related to abnormal protein kinase activities such as cancer.

  吡啶并呋嗪衍生物作为蛋白激酶抑制剂具有意想不到的药物特性，并可用于治疗与异常蛋白激酶活性相关的疾病，如癌症。
• Isoindole-imide compounds and compositions comprising and methods of using the same
  申请人：Muller W. George

  公开号：US20070049618A1

  公开（公告）日：2007-03-01

  This invention relates to isoindole-imide compounds, and pharmaceutically acceptable salts, solvates, stereoisomers, and prodrugs thereof. Methods of use, and pharmaceutical compositions of these compounds are disclosed.

  这项发明涉及异吲哚-亚胺化合物，以及它们的药物可接受的盐、溶剂化物、对映异构体和前药。这些化合物的使用方法和药物组合物已经公开。
• Design, Synthesis, and Biological Activity of Urea Derivatives as Anaplastic Lymphoma Kinase Inhibitors
  作者：Gustav Boije af Gennäs、Luca Mologni、Shaheen Ahmed、Mohanathas Rajaratnam、Oriano Marin、Niko Lindholm、Michela Viltadi、Carlo Gambacorti-Passerini、Leonardo Scapozza、Jari Yli-Kauhaluoma

  DOI：10.1002/cmdc.201100168

  日期：2011.9.5

  on the development of inhibitors for targeted therapy of these ALK‐positive tumors. Because kinase inhibitors that target the inactive conformation are thought to be more specific than ATP‐targeted inhibitors, we investigated the possibility of using two known inhibitors, doramapimod and sorafenib, which target inactive kinases, to design new urea derivatives as ALK inhibitors. We generated a homology

  在间变性大细胞淋巴瘤中，涉及间变性淋巴瘤激酶（ALK）激酶结构域的染色体易位通常与核磷蛋白基因的5'部分融合，会产生高度致癌的ALK融合蛋白，从而破坏这些细胞的细胞周期，凋亡和分化。细胞。最近在患有非小细胞肺癌，乳腺癌和结直肠癌的患者中发现了其他涉及ALK的融合癌蛋白，例如棘皮动物微管相关蛋白4-ALK。最近的研究集中在针对这些ALK阳性肿瘤的靶向治疗的抑制剂的开发上。由于靶向无活性构象的激酶抑制剂被认为比针对ATP的抑制剂更具特异性，因此我们研究了使用两种已知的靶向无活性激酶的抑制剂doramapimod和sorafenib的可能性，设计新的尿素衍生物作为ALK抑制剂。我们在其活性位点与多拉吡莫德或索拉非尼复合的非活性构象中生成了ALK的同源模型。结果阐明了为什么doramapimod是一种弱抑制剂，为什么sorafenib不抑制ALK。使用ALK的同源性模型对市售化合物进行的虚拟筛选产