2-氨基甲基嘧啶盐酸盐 | 372118-67-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-氨基甲基嘧啶盐酸盐
• 中文别名: 2-甲胺基嘧啶盐酸盐；2-甲胺基嘧啶盐；2-(氨甲基)嘧啶盐酸盐；2-嘧啶甲胺盐酸盐
• 英文名称: 2-aminomethylpyrimidine hydrochloride
• 英文别名: pyrimidin-2-ylmethanamine hydrochloride；Pyrimidin-2-ylmethylazanium;chloride；pyrimidin-2-ylmethylazanium;chloride
• CAS: 372118-67-7
• 化学式: C₅H₇N₃*ClH
• 分子量: 145.592
• InChiKey: RZNKMZKAXJTLQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.36
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  51.8
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温下，应保持密闭。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Aminomethylpyrimidine hydrochloride
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: 2-Aminomethylpyrimidine hydrochloride
CAS number: 372118-67-7

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H7N3.ClH
Molecular weight: 145.6

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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, hydrogen chloride.

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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

制备方法与用途

应用领域广泛，2-氨基甲基嘧啶盐酸盐不仅是一种试剂和中间体，还可用于药物合成。例如，它可用作螺环酰基胍的原料，后者是β-分泌酶抑制剂，用于治疗神经退行性疾病。

作为一种有机合成中间体和医药中间体，2-氨基甲基嘧啶盐酸盐在实验室研发过程和化工医药合成过程中具有重要应用价值。

此外，该化合物还是一种重要的磺胺类医药中间体，同样适用于有机合成及医药合成领域。

反应信息

• 作为反应物：
  描述：

  N-叔丁氧羰基-L-丙氨酸 、 2-氨基甲基嘧啶盐酸盐 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 10.5h， 以72%的产率得到
  参考文献：
  名称：

  香豆素衍生物及其制法

  摘要：

  本发明涉及香豆素衍生物及其制法。具体地，本发明公开了通式(I)的新型具有抗炎活性的7‑羟基香豆素‑3‑甲酰‑β‑丙氨酰氨基酰‑2‑氨基甲基嘧啶，在通式(I)中AA＝Ala，Leu，Val，Met，Phe，Tyr，Asp(OBzl)。还涉及它们的制备方法，并进一步公开了其抗炎作用。因而本发明公开了2‑氨基甲基嘧啶和氨基酸修饰的7‑羟基香豆素‑3‑甲酰‑β‑丙酸作为抗炎药物的临床应用前景。

  公开号：

  CN106279125B
• 作为产物：
  描述：

  2-(Boc-氨基甲基)嘧啶 在 盐酸 作用下， 以 水 为溶剂， 以5.3 g的产率得到2-氨基甲基嘧啶盐酸盐
  参考文献：
  名称：

  一种2-氨基甲基嘧啶盐酸盐及其衍生物的合成方法

  摘要：

  本发明涉及一种药物中间体的制备，特别涉及一种2‑氨基甲基嘧啶盐酸盐及其衍生物的制备方法。本发明是在克服了现在普遍使用的工业化生产工艺及实验室工艺的缺点之后进行的改进，改进之处在于：该方法以2‑氰基嘧啶及其衍生物为起始原料，采用Boc酸酐为保护剂，在碱性条件下，经还原‑保护一锅法反应，后经过氯化氢脱保护制得。该方法反应周期短，转化率高，产品品质优，生产出的2‑氨基甲基嘧啶盐酸盐及其衍生物含量在99% 以上，而且操作步骤简单，所需设备简单，能耗低。

  公开号：

  CN106831601A
• 作为试剂：
  描述：

  2-氨基甲基嘧啶盐酸盐 、 S)-4-(3-氯-4-甲氧基苯氨基)-5-羧基-2-(2-羟甲基-1-吡咯基)嘧啶 在 2-氨基甲基嘧啶盐酸盐 作用下， 以75的产率得到阿伐那非
  参考文献：
  名称：

  [EN] AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS
  [FR] COMPOSES CYCLIQUES AROMATIQUES AZOTES A SIX ELEMENTS

  摘要：

  通式（I）的芳香族氮六元环化合物或其药学上可接受的盐，表现出对PDE V的优异选择性抑制活性，可用作预防或治疗阴茎勃起不足等药物。在式（I）中，A是可选的取代氮杂环基团；R1是可选的取代较低烷基，-NH-Q-R3（其中R3是可选的取代氮杂环基团；Q是较低的烷基或单键），或-NH-R4（其中R4是可选的取代环烷基）；R2是可选的取代芳基；而Y和Z中的任何一个是=CH-，另一个是=N-。

  公开号：

  WO2001019802A1

文献信息

• [EN] BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS<br/>[FR] COMPOSÉS ISOTHIAZOLINE SUBSTITUÉS PAR UN BICYCLYLE
  申请人：BASF SE

  公开号：WO2014206910A1

  公开（公告）日：2014-12-31

  The present invention relates to bicyclyl-substituted isothiazoline compounds of formula (I) wherein the variables are as defined in the claims and description. The compounds are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.

  本发明涉及公式（I）中变量如索权和说明中所定义的自行车基取代异噻唑啉化合物。这些化合物对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫方面具有用途。该发明还涉及一种通过使用这些化合物来控制无脊椎动物害虫的方法，以及包含所述化合物的植物繁殖材料、农业和兽医组合物。
• 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS
  申请人：H. Lundbeck A/S

  公开号：US20190194189A1

  公开（公告）日：2019-06-27

  The present invention provides 1H-pyrazolo[4,3-b]pyridines of formula (I) as PDE1 inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders.

  本发明提供了式(I)的1H-吡唑并[4,3-b]吡啶类化合物作为PDE1抑制剂，并将其用作药物，特别用于治疗神经退行性疾病和精神疾病。
• BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20160333009A1

  公开（公告）日：2016-11-17

  The present disclosure provides indoleamine 2,3-dioxygenase 1 (IDOL) inhibitors of Formula I: or pharmaceutically acceptable salts thereof, in which X, L, n, m, R 1 , R 2a , R 2b , R n , R m , and R t are as defined herein, as well as pharmaceutical compositions that include a compound of Formula I, or pharmaceutically acceptable salts thereof, and methods of using the same to treat conditions mediated by IDO1.

  本公开提供了式I的吲哌酮2,3-二氧化酶1（IDOL）抑制剂： 或其药学上可接受的盐，其中X、L、n、m、R 1 、R 2a 、R 2b 、R n 、R m 和R t 如本文所定义，以及包括式I化合物的药物组合物，或其药学上可接受的盐，并使用这些方法来治疗由IDO1介导的疾病。
• [EN] 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS QUINAZOLINE SUBSTITUÉS EN POSITION 2 COMPRENANT UN GROUPE HÉTÉROCYCLIQUE SUBSTITUÉ ET LEUR MÉTHODE D'UTILISATION
  申请人：ARAXES PHARMA LLC

  公开号：WO2017087528A1

  公开（公告）日：2017-05-26

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): (I) or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein R1, R2a, R2b, R2c, R3a, R3b, R4a, R4b, R5a, R5b, R6, A, G1, G2, L1, L2, m1, m2, n, X and E are as defined herein, and wherein at least one of R3a, R3b, R4a or R4b is not H. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

  提供了作为G12C突变KRAS蛋白抑制剂活性的化合物。这些化合物具有以下结构（I）：（I）或其药学上可接受的盐、立体异构体或前药，其中R1、R2a、R2b、R2c、R3a、R3b、R4a、R4b、R5a、R5b、R6、A、G1、G2、L1、L2、m1、m2、n、X和E如本文所定义，并且其中至少一个R3a、R3b、R4a或R4b不是H。还提供了与制备和使用这些化合物相关的方法，包括包含这些化合物的药物组合物以及调节G12C突变KRAS蛋白活性以治疗癌症等疾病的方法。
• [EN] SUBSTITUTED AMINOTHIAZOLES<br/>[FR] AMINOTHIAZOLES SUBSTITUÉS
  申请人：BARUCH S BLUMBERG INST

  公开号：WO2018013508A1

  公开（公告）日：2018-01-18

  Described herein are substituted aminothiazoles, compositions comprising same; and methods of making and using same.

  本文描述了替代氨基噻唑，包括相同成分的组合物；以及制备和使用相同的方法。