1-[2-(氨甲基)苯基]-N,N-二甲基甲胺双盐酸盐 | 53369-77-0

• 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: 1-[2-(氨甲基)苯基]-N,N-二甲基甲胺双盐酸盐
• 中文别名: 1-[2-(氨甲基)苯基]-N,N-二甲基甲胺2HCL
• 英文名称: 1-(2-(aminomethyl)phenyl)-N,N-dimethylmethanamine
• 英文别名: 1-[2-(aminomethyl)phenyl]-N,N-dimethylmethanamine；2-dimethylaminomethylbenzylamine；o-(Dimethylaminomethyl)-benzylamin；o-Dimetylaminomethyl-benzylamin；N,N-Dimethyl-o-xylylendiamin；N-[2-(aminomethyl)benzyl]-N,N-dimethylamine；[2-[(dimethylamino)methyl]phenyl]methanamine
• CAS: 53369-77-0
• 化学式: C₁₀H₁₆N₂
• mdl: MFCD07324744
• 分子量: 164.25
• InChiKey: GRRUSEDCZUTRDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-[2-(Aminomethyl)benzyl]-n,n-dimethylamine
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: N-[2-(Aminomethyl)benzyl]-n,n-dimethylamine
CAS number: 53369-77-0

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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.
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: C10H16N2
Molecular weight: 164.3

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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
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-氯喹啉 、 1-[2-(氨甲基)苯基]-N,N-二甲基甲胺双盐酸盐 在 potassium carbonate 、 三乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 15.0h， 以51%的产率得到N-(2-((dimethylamino)methyl)benzyl)quinolin-4-amine
  参考文献：
  名称：

  苯基马尿碱的体外和体内抗疟活性的合成与评价

  摘要：

  首次报道了有效的抗疟原虫的4-氨基喹啉苯基马尿碱（PQ）的合成。PQ和两种类似物在体外从对氯喹敏感的D10转移到对氯喹耐药的K1菌株中显示出更高的功效。在伯氏疟原虫ANKA和约氏疟原虫中已经确定了PQ及其盐的体内功效。苯甲基马尿酸盐酸盐在约氏疟原虫中的ED 50为0.81 （参见氯喹ED 50  = 1.31）。

  DOI：

  10.1016/j.bmcl.2009.12.030
• 作为产物：
  描述：

  2-((dimethylamino)methyl)benzaldehyde 在 lithium aluminium tetrahydride 、 盐酸羟胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 水 为溶剂， 反应 24.0h， 生成 1-[2-(氨甲基)苯基]-N,N-二甲基甲胺双盐酸盐
  参考文献：
  名称：

  设计，合成和评价新型铁喹啉和苯基马ine类似物作为潜在的抗疟原虫药物。

  摘要：

  7-氯喹啉类抗疟药可有效抑制疟原虫疟原虫疟原虫食物液泡中的血zo素形成。我们合成了五种亚铁喹啉（FQ）和苯基马尿苷（PQ）衍生物，它们对氯喹敏感（CQS）NF54（IC 50：4.2 n m）和耐氯喹（CQR）Dd2（IC 50：33.7 n m）恶性疟原虫菌株。发现几种化合物具有对抗在NP-40洗涤剂测定β-血色素形成良好的抑制活性，带IC 50值范围为10.4和19.2之间μ米。

  DOI：

  10.1002/cmdc.201500349

文献信息

• [EN] IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDAZO[1,2-A]PYRIDINE UTILISÉS EN TANT QU'INHIBITEURS D'HISTONE DÉMÉTHYLASE
  申请人：CHRYSALIS INC

  公开号：WO2017214413A1

  公开（公告）日：2017-12-14

  This disclosure relates, inter alia, to compounds that inhibit histone demethylase activity. In particular, the disclosure relates to compounds that inhibit histone lysine demethylase KDM5B, pharmaceutical compositions and methods of use, such as methods of treating cancer using the compounds and pharmaceutical compositions disclosed herein.

  这份披露涉及抑制组蛋白去甲基化酶活性的化合物等内容。具体而言，该披露涉及抑制组蛋白赖氨酸去甲基化酶KDM5B的化合物，药物组合物和使用方法，例如使用本文披露的化合物和药物组合物治疗癌症的方法。
• BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：Xenon Pharmaceuticals Inc.

  公开号：US20180162868A1

  公开（公告）日：2018-06-14

  This invention is directed to benzenesulfonamide compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment of diseases or conditions associated with voltage-gated sodium channels, such as epilepsy and/or epileptic seizure disorders.

  这项发明涉及苯磺酰胺化合物，作为其立体异构体、对映异构体、互变异构体或它们的混合物；或其药学上可接受的盐、溶剂合物或前药，用于治疗与电压门控钠通道相关的疾病或症状，如癫痫和/或癫痫发作障碍。
• [EN] HISTONE DEMETHYLASE INHIBITORS<br/>[FR] INHIBITEURS D'HISTONE DÉMÉTHYLASE
  申请人：QUANTICEL PHARMACEUTICALS INC

  公开号：WO2014100818A1

  公开（公告）日：2014-06-26

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted amidopyridine or amidopyridazine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了取代的吡啶或吡啶二氮杂环衍生物化合物和包含该化合物的药物组合物。所述化合物和组合物可用于抑制组蛋白去甲基化酶。此外，所述化合物和组合物可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等。
• HISTONE DEMETHYLASE INHIBITORS
  申请人：Quanticel Pharmaceuticals, Inc.

  公开号：US20150119397A1

  公开（公告）日：2015-04-30

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted amidopyridine or amidopyridazine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明涉及治疗癌症和肿瘤疾病的组合物和方法。本发明提供了取代的酰胺吡啶或酰胺吡嗪衍生物化合物和含有该化合物的制药组合物。所述化合物和组合物可用于抑制组蛋白去甲基化酶。此外，所述化合物和组合物可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等。
• Histone demethylase inhibitors
  申请人：Quanticel Pharmaceuticals, Inc.

  公开号：US08952151B2

  公开（公告）日：2015-02-10

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted amidopyridine or amidopyridazine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明涉及治疗癌症和肿瘤性疾病的组合物和方法。提供了替代的氨基吡啶或氨基吡嗪衍生物化合物和含有该化合物的制药组合物。这些化合物和组合物对于抑制组蛋白去甲基化酶非常有用。此外，这些化合物和组合物对于治疗癌症非常有用，例如前列腺癌，乳腺癌，膀胱癌，肺癌和/或黑色素瘤等。