4-(二甲基氨甲基)苯胺 | 6406-74-2

• 物质功能分类: 化学试剂 - 有机试剂 - 酰亚胺
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(二甲基氨甲基)苯胺
• 中文别名: 4-氨基-N,N-二甲基苄基胺；4-二甲基氨甲基-苯胺；4-氨基-N,N-二甲基苯胺；4-氨基-N,N-二甲基苯乙胺
• 英文名称: 4-(dimethylaminomethyl)aniline
• 英文别名: 4-Amino-N,N-dimethylbenzylamine；4-[(dimethylamino)methyl]aniline
• CAS: 6406-74-2
• 化学式: C₉H₁₄N₂
• mdl: MFCD00035953
• 分子量: 150.224
• InChiKey: NNCCQALFJIMRKB-UHFFFAOYSA-N

物化性质

• 沸点：
  231.8±15.0 °C(Predicted)
• 密度：
  1.013±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2921590090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Amino-N,N-dimethylbenzylamine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Amino-N,N-dimethylbenzylamine
CAS number: 6406-74-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
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.
Store in closed vessels, refrigerated.
Storage:

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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
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C9H14N2
Molecular weight: 150.2

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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
Non-harzardous for air and ground transportation.

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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-(二甲基氨甲基)苯胺 生成 4-[(二甲基氨基)甲基]苯甲腈
  参考文献：
  名称：

  Friedlaender; Mosczyc, Chemische Berichte, 1895, vol. 28, p. 1141

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氨基-N,N-二甲基苯甲酰胺 在 (5-溴-1-苯并噻吩-2-基)硼酸 、 苯硅烷 作用下， 以 甲苯 为溶剂， 反应 36.0h， 以70%的产率得到4-(二甲基氨甲基)苯胺
  参考文献：
  名称：

  硼酸催化的氢化硅烷化将酰胺选择性还原为胺

  摘要：

  不是'B'ore！在存在氢硅烷的情况下，基于苯并噻吩的硼酸催化叔，仲和伯酰胺的还原。该反应显示出良好的官能团耐受性。

  DOI：

  10.1002/anie.201304495

文献信息

• [EN] QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS<br/>[FR] DERIVES D'ACIDE CARBOXYLIQUE DE QUINOLONE POUR LE TRAITEMENT DES TROUBLES HYPERPROLIFERATIFS
  申请人：BAYER PHARMACEUTICALS CORP

  公开号：WO2005097752A1

  公开（公告）日：2005-10-20

  Quinolone carboxylic acid derivatives of formula (I) wherein Ar is an optionally substituted phenyl, pyridyl, or pyrimidinyl group and the substituent groups R1, R4, R10, R11, R19, and R20 are as defined in the specification, pharmaceutical compositions containing them, and methods of using them in treatment of hyperproliferative diseases such as cancer are disclosed and claimed.

  公开和声明了式(I)的喹诺酮羧酸衍生物，其中Ar是可选择地取代的苯基、吡啶基或嘧啶基，取代基R1、R4、R10、R11、R19和R20如规范中定义，包含它们的药物组合物，以及在治疗癌症等高增殖性疾病中使用它们的方法。
• [EN] PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE<br/>[FR] DÉRIVÉ DE PYRIMIDO-PYRIMIDO-INDAZOLE
  申请人：BANYU PHARMA CO LTD

  公开号：WO2010098367A1

  公开（公告）日：2010-09-02

  The invention is to provide a novel anticancer agent or sensitizer for cancer chemotherapy or radiotherapy. A compound of a general formula (I): wherein A means an aryl group or a heteroaryl group, or a group of a formula (a):; R1 means a -(C=O)aOb(C1-C6)alkyl group, a -(C=O)aOb(C2-C6)alkenyl group, a -(C=O)aOb(C3-C6)cycloalkyl group, an aryl group or a heteroaryl group; R2 and R3 each mean a hydrogen atom, a halogen atom, a hydroxyl group, a carboxyl group, a -(C=O)aOb(C1-C6)alkyl group or a group of -(C=O)aN(R1e)R2e; R4 means a hydrogen atom or a (C1-C6)alkyl group, and the like have an excellent Wee1-kinase-inhibitory effect, and are therefore useful in the field of medicine, especially in the field of various cancer treatments.

  这项发明是为了提供一种新型的抗癌药物或增敏剂，用于癌症化疗或放疗。通式(I)的化合物：其中A表示芳基或杂环基，或者是式(a)的基团；R1表示-(C=O)aOb(C1-C6)烷基、-(C=O)aOb(C2-C6)烯基、-(C=O)aOb(C3-C6)环烷基、芳基或杂环基；R2和R3各自表示氢原子、卤素原子、羟基、羧基、-(C=O)aOb(C1-C6)烷基或-(C=O)aN(R1e)R2e的基团；R4表示氢原子或(C1-C6)烷基等，具有优异的Wee1激酶抑制作用，因此在医学领域特别是各种癌症治疗领域中非常有用。
• [EN] QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER<br/>[FR] DERIVES DE QUINAZOLINE A UTILISER CONTRE LE CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2006040526A1

  公开（公告）日：2006-04-20

  The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of p, R1, q, R2, R3, R4, R5, Ring A, X1, R6, r and R7 has any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

  本发明涉及式(I)喹唑啉衍生物或其药物可接受的盐、溶剂化物或前药，其中p、R1、q、R2、R3、R4、R5、环A、X1、R6、r和R7各自具有说明书中定义的任何含义；其制备方法、含有它们的药物组合物以及它们在制造用于治疗细胞增殖障碍或治疗与血管生成和/或血管通透性相关的疾病状态的药物中的应用。
• [EN] COMPOUNDS USEFUL IN THE TREATMENT OF DISORDERS ASSOCIATED WITH MUTANT RAS<br/>[FR] COMPOSÉS UTILES DANS LE TRAITEMENT DE TROUBLES ASSOCIÉS À RAS MUTANT
  申请人：UNIV OXFORD INNOVATION LTD

  公开号：WO2019234405A1

  公开（公告）日：2019-12-12

  The present invention relates to compounds of Formula I as defined herein, and salts and solvates thereof. (I) The present invention also relates to pharmaceutical compositions comprising compounds of Formula (I), and to compounds of Formula (I) for use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which inhibition of a RAS-effector protein-protein interaction is implicated.

  本发明涉及式I所定义的化合物，以及它们的盐和溶剂化物。（I）本发明还涉及包含式（I）化合物的药物组合物，以及式（I）化合物用于治疗增殖性疾病，如癌症，以及其它涉及抑制RAS效应蛋白-蛋白相互作用的疾病或状况。
• Design, Synthesis and Antiproliferative Activity of Novel Benzothiazole Derivatives Conjugated with Semicarbazone Scaffold
  作者：Guanglong Bao、Baoquan Du、Yuxiu Ma、Meng Zhao、Ping Gong、Xin Zhai

  DOI：10.2174/1573406412666160107113343

  日期：2016.6.23

  Two series of novel benzothiazole derivatives conjugated with semicarbazone scaffold were designed and synthesized through a structure-based molecular hybridization strategy. All the target compounds were evaluated for their cytotoxicity in vitro against three cancer cell lines (HT-29, MKN-45 and H460) by standard MTT assay. The pharmacological results indicated that seven compounds (17h-n) exhibited

  通过基于结构的分子杂交策略，设计并合成了两类新颖的结合了半脲酮骨架的苯并噻唑衍生物。通过标准MTT测定法评估了所有目标化合物在体外对三种癌细胞系（HT-29，MKN-45和H460）的细胞毒性。药理结果表明，与参考药物索拉非尼和PAC-1相比，七种化合物（17h-n）表现出可比甚至更好的抗增殖活性。尤其是，化合物17i对测试的三种癌细胞系表现出显着的细胞毒性，IC50值分别为0.84、0.06和0.52 µM，分别比索拉非尼强4.3倍，36.6倍，4.2倍，并且比索拉非尼高1.2倍，13.7倍，6.9倍分别比PAC-1活跃。