3,5-二甲基-4-氨基吡啶 | 43078-60-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3,5-二甲基-4-氨基吡啶
• 中文别名: 3，5-二甲基-4-氨基吡啶；3,5-二甲基吡啶-4-胺；3,5-二甲基吡啶-4胺
• 英文名称: 3,5-dimethyl-4-aminopyridine
• 英文别名: 3,5-dimethylpyridine-4-amine；4-amino-3,5-dimethylpyridine；3,5-dimethylpyridin-4-amine；4-amino-3,5-lutidine；3,5-dimethyl-pyridin-4-ylamine；3,5-dimethyl-4-pyridinamine
• CAS: 43078-60-0
• 化学式: C₇H₁₀N₂
• mdl: MFCD03413657
• 分子量: 122.17
• InChiKey: QFLLABOTLITCPP-UHFFFAOYSA-N

物化性质

• 熔点：
  104-106℃
• 沸点：
  277.8±35.0 °C(Predicted)
• 密度：
  1.039±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,5-Dimethylpyridin-4-amine
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: 3,5-Dimethylpyridin-4-amine
CAS number: 43078-60-0

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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: C7H10N2
Molecular weight: 122.2

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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：

  3,5-二甲基-4-氨基吡啶 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ copper(l) iodide 、 四丁基氟化铵 、 三乙胺 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 N-(4-ethynyl-2,6-diisopropylphenyl)-N-(3,5-dimethylpyridin-4-yl)pyridine-2,6-dicarboxamide
  参考文献：
  名称：

  Self-assembly and binding properties of a metallomacrocycle having two interactive binding subcavitiesElectronic supplementary information (ESI) available: synthesis, ESI-mass data, binding studies, concentration-dependent 1H NMR spectra, modeling structure and VPO experiments of 1. See http://www.rsc.org/suppdata/cc/b3/b306497b/

  摘要：

  一种包含两个拓扑离散结合亚腔的金属大环自组装而成，并显示出正的同位协同性结合行为。

  DOI：

  10.1039/b306497b
• 作为产物：
  描述：

  3,5-二甲基-4-硝基吡啶-N-氧化物 在 palladium 10% on activated carbon 、 三氯化磷 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 26.0h， 生成 3,5-二甲基-4-氨基吡啶
  参考文献：
  名称：

  聚芳基吡啶鎓的单步与逐步双电子还原：氧化还原电位压缩空间转换的见解

  摘要：

  与通过两次单电子转移（逐步还原）还原的 4,4'-双吡啶鎓（即原型甲基紫精）相反，4,1'-双吡啶鎓异构体（所谓的“头对尾”异构体） ) 在明显相同的电位下经历两次电子转移（单步还原）。已经进行了一项理论和实验相结合的研究，以确定后一种电化学行为，在其他聚芳基吡啶鎓电泳中也观察到，是由于源自大结构重排的潜在压缩。制备了三个系列的支化膨胀吡啶鎓（EP）：N-芳基-2,4,6-三苯基吡啶鎓（Ar-TP），N-芳基-2,3,4,5,6-五苯基吡啶鎓（Ar-XP），和 N-芳基-3,5-二甲基-2,4,6-三苯基吡啶鎓（Ar-DMTP）。分子内空间应变通过 N-吡啶基芳基 (Ar) 苯基 (Ph)、4-吡啶基 (Py) 和 4-吡啶鎓 (qPy) 及其庞大的 3,5- 二甲基对应物、二甲苯基 (Xy)、lutidyl (Lu) 和 lutidylium (qLu)，分别。将二茂铁亚基作为内部氧化还原参考共价附加到代表性电泳，以计算以

  DOI：

  10.1021/ja210024y

文献信息

• Self-Assembly of Interlocked Supramolecular Dendrimers
  作者：Kyu-Sung Jeong、Eun-Jin Park

  DOI：10.1021/jo035798u

  日期：2004.4.1

  Interlocked supramolecular dendrimers were spontaneously self-assembled from molecular components, metallocycles, and dumbbells bearing benzyl ether repeating units. Here, the metallocycles were in situ self-assembled from L-shaped ligands with dendritic branches, 2,3-dimethyl-2-butene and osmium tetraoxide. The supramolecular dendrimers were stabilized by hydrogen-bonding interactions between the

  互锁的超分子树状聚合物是自发自组装的，由分子成分，金属环和带有苄基醚重复单元的哑铃组成。在此，金属环由具有树枝状分支，2,3-二甲基-2-丁烯和四氧化的L形配体原位自组装。超分子树状大分子通过金属环中的吡啶-2,6-二二甲酰胺单元和哑铃中的己二酰胺单元之间的氢键相互作用来稳定。
• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021123294A1

  公开（公告）日：2021-06-24

  The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C9ORF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，制备这类化合物和组合物的方法，以及利用这类化合物和组合物预防和治疗抑制OGA有益的疾病的用途，例如tau病变，特别是阿尔茨海默病或进行性上行性麻痹；以及伴有tau病理的神经退行性疾病，特别是由C9ORF72突变引起的肌萎缩侧索硬化或额颞叶痴呆。
• (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors
  申请人：Almirall, S.A.

  公开号：EP2196465A1

  公开（公告）日：2010-06-16

  New (3-oxo)pyridazin-4-ylurea derivatives having the chemcial structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of the phosphodiesterase IV (PDE4).

  揭示了具有化学结构式（I）的新（3-氧代）吡啶并嘧啶-4-基脲衍生物；以及它们的制备方法，包含它们的药物组合物以及它们作为磷酸二酯酶IV（PDE4）抑制剂在治疗中的用途。
• A large enhancement in the binding affinity of artificial hosts by OsVI chelation
  作者：Kyu-Sung Jeong、Jung Wha Lee、Tae-Yoon Park、Sung-Youn Chang

  DOI：10.1039/a906252a

  日期：——

  Mononuclear OsVI-chelated macrocycles, self-assembled from OsO4, 2,3-dimethylbut-2-ene and bispyridyl ligands, bind diamides much more strongly than the OsVI-free ligands (ΔΔG = –14.6 kJ mol–1).

  单核OsVI螯合的大环由OsO4、2,3-二甲基丁-2-烯和双吡啶配体自组装而成，能够比无OsVI的配体更强烈地结合二酰胺（ΔΔG = –14.6 kJ mol–1）。
• HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF
  申请人：iOmx Therapeutics AG

  公开号：EP3901151A1

  公开（公告）日：2021-10-27

  The invention relates to kinase inhibitors, in particular inhibitors of protein kinases including the SIK-family CSF1R, ABL/BCR-ABL, SRC, HCK, PDGFR, KIT and/or their mutants. Although structurally similar to dasatinib, the kinase inhibitors of the invention are distinctive; possessing a particular class of halogenated heteroaryls. Such kinase inhibitors can display one or more certain properties distinct to dasatinib and other structurally similar kinase inhibitors. The kinase inhibitors of the invention or pharmaceutical compositions comprising them may be used in the treatment of a disorder or condition, such as a proliferative disorder, for example, a leukaemia or solid tumour. In particular, these and other structurally similar kinase inhibitors may be used in the treatment of a proliferative disorder - such as a mixed phenotype acute leukaemia (MPAL) - characterised by (inter-alia) the presence of MEF2C protein, a human chromosomal translocation at 11q23, and/or a KMT2A fusion oncoprotein. The kinase inhibitors or pharmaceutical compositions disclosed herein may be used topically to modulate skin pigmentation in a subject, for example to impart UV protection and reduce skin cancer risk.

  该发明涉及激酶抑制剂，特别是蛋白激酶的抑制剂，包括SIK家族CSF1R，ABL/BCR-ABL，SRC，HCK，PDGFR，KIT和/或它们的突变体。尽管在结构上类似于达沙替尼，但该发明的激酶抑制剂具有独特之处；具有一类特殊的卤代杂环芳基。这种激酶抑制剂可能表现出与达沙替尼和其他在结构上相似的激酶抑制剂不同的某些性质。该发明的激酶抑制剂或包含它们的药物组合物可用于治疗某种疾病或病况，例如增生性疾病，例如白血病或实体肿瘤。特别是，这些和其他在结构上相似的激酶抑制剂可用于治疗增生性疾病 - 例如混合表型急性白血病（MPAL）- 其特征包括MEF2C蛋白的存在，11q23处的人类染色体易位，和/或KMT2A融合致癌蛋白。本文披露的激酶抑制剂或药物组合物可用于局部调节受试者的皮肤色素沉着，例如赋予UV保护并降低皮肤癌风险。