4-(2,6-二甲基吗啉)苯胺 | 218930-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 4-(2,6-二甲基吗啉)苯胺
• 中文别名: 吗啉)苯胺；4-(2,6-二甲基吗啉-4-基)苯胺；4-(2,6-二甲基-4-；[4-(2,6-二甲基吗啉-4-基)苯基]胺
• 英文名称: 4-(2,6-dimethylmorpholino)aniline
• 英文别名: 4-(2,6-dimethyl-morpholin-4-yl)-phenylamine；4-(2,6-dimethylmorpholin-4-yl)aniline
• CAS: 218930-10-0
• 化学式: C₁₂H₁₈N₂O
• mdl: MFCD00051574
• 分子量: 206.288
• InChiKey: SMOGUURTGJUNNJ-UHFFFAOYSA-N

物化性质

• 沸点：
  370.2±37.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.5
• 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
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090

SDS

Name:	4-(2 6-Dimethylmorpholino)aniline TECH Material Safety Data Sheet
Synonym:
CAS:	218930-10-0

Section 1 - Chemical Product MSDS Name:4-(2 6-Dimethylmorpholino)aniline TECH Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
218930-10-0	4-(2,6-Dimethylmorpholino)aniline		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# 218930-10-0: 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: 68 - 74 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: C12H18N2O
Molecular Weight: 206.29

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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# 218930-10-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(2,6-Dimethylmorpholino)aniline - 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# 218930-10-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 218930-10-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 218930-10-0 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：

  1,4-二氯酞嗪 、 4-(2,6-二甲基吗啉)苯胺 以 乙醇 为溶剂， 反应 3.0h， 以85%的产率得到4-chloro-N-(4-(2,6-dimethylmorpholino)phenyl)phthalazin-1-amine
  参考文献：
  名称：

  酞嗪作为新型非激酶 TGFβ 通路抑制剂的发现和生物学评价

  摘要：

  TGFβ对于上皮和神经组织的稳态、伤口修复和调节免疫反应至关重要。其失调与大量疾病有关，其中改变肿瘤微环境是重要的临床意义之一。尽管进行了各种尝试，但仍然没有 FDA 批准的抑制 TGFβ 途径的疗法。主要的主流方法包括通过以下方式损伤 TGFβ通路抑制TGFβRI激酶。为了识别基于非受体激酶的抑制剂以损害 TGFβ 信号传导，通过计算研究丰富了内部化学库，以消除 TGFβRI 激酶活性。针对在 TGFβ-Smad 依赖性转录控制下用萤火虫荧光素酶基因改造的细胞系筛选选定的化合物。结果表明具有酞嗪核心的分子对 TGFβ-Smad 信号传导具有中等效力。合成了一系列酞嗪化合物并评估其效力。最有希望的化合物 ( 10p ) 的 IC 50为 0.11 ± 0.02 μM，经证实在高达 12 μM 时无细胞毒性，选择性指数约为 112 倍。同时，10p证实使用蛋白质印迹可减少 Smad 磷酸化，而不显示对

  DOI：

  10.1016/j.ejmech.2021.113660
• 作为产物：
  描述：

  顺-2,6-二甲基-4-(4-硝基苯基)吗啉 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 以100%的产率得到4-(2,6-二甲基吗啉)苯胺
  参考文献：
  名称：

  [EN] IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION
  [FR] IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES UTILISES EN TANT QU'AGENTS INHIBITEURS DE LA PROLIFERATION CELLULAIRE

  摘要：

  化合物的公式（I），其中变量基团的定义如内部，并描述了药用盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）效果的药物。

  公开号：

  WO2005075461A1

文献信息

• Therapeutic heterocyclic compounds
  申请人：——

  公开号：US20030013708A1

  公开（公告）日：2003-01-16

  Provided herein is a compound having the formula (I): 1 Wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有以下式（I）： 其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、恐慌障碍和睡眠障碍。这些化合物还可能用于治疗胃肠道障碍、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。这些化合物是5HT 1B和5HT 1D拮抗剂。
• Therapeutic chromone compounds
  申请人：——

  公开号：US20040087575A1

  公开（公告）日：2004-05-06

  Provided herein is a compound of the formula (I) wherein said compound is useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating, disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B antagonists. Also provided herein are processes for making compounds of Formula (I) and intermediate compounds.

  本文提供的是一种化合物，其化学式为（I），其中该化合物可用于治疗包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、恐慌障碍和睡眠障碍在内的精神疾病。这些化合物也可能对治疗胃肠道疾病、心血管调节、运动障碍、内分泌失调、血管痉挛和性功能障碍有用。这些化合物是5HT 1B 拮抗剂。本文还提供了制备化合物（I）和中间体化合物的方法。
• Therapeutic chroman compounds
  申请人：——

  公开号：US20040110745A1

  公开（公告）日：2004-06-10

  Provided herein is a compound represented by the Formula (I) wherein said compounds are useful for the treatment of migraine. Also provided are processes for the preparation of compounds of Formula (I) and intermediates.

  本文提供的是一种化合物，其化学式表示为（I），其中这些化合物对治疗偏头痛有用。还提供了制备化合物（I）和中间体的方法。
• [EN] VEGFR TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE TYROSINE KINASE VEGFR
  申请人：SUZHOU VIVOTIDE BIOTECHNOLOGIES CO LTD

  公开号：WO2014183300A1

  公开（公告）日：2014-11-20

  Novel compounds, their prodrugs, and the pharmaceutically acceptable salts as pharmaceutical compositions containing such compounds useful in treating certain diseases modulated by the inhibition of vascular endothelial growth factors (VEGFs) receptor tyrosine kinases are provided. In particular, compounds and compositions and the methods for the prophylaxis, management and treatment of cancers through the inhibition of VEGF receptor tyrosine kinases are provided.

  提供了作为含有这些化合物的药物组合物的前药和药用盐，用于治疗受血管内皮生长因子（VEGFs）受体酪氨酸激酶抑制调节的特定疾病。具体提供了通过抑制VEGF受体酪氨酸激酶来预防、管理和治疗癌症的化合物、组合物和方法。
• [EN] NOVEL KINASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2014060113A1

  公开（公告）日：2014-04-24

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种具有公式（I）的新化合物，能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体。这些化合物在治疗多种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和激素相关疾病。