2-氨基-4-甲基吡啶-5-甲酸 | 179555-11-4

• 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: 2-氨基-4-甲基吡啶-5-甲酸
• 中文别名: 2-氨基-5-羧基-4-甲基吡啶；2-氨基-4-甲基-5-羧基吡啶
• 英文名称: 2-amino-4-methyl-5-pyridinecarboxylic acid
• 英文别名: 6-amino-4-methylnicotinic acid；2-amino-5-carboxy-4-methylpyridine；6-amino-4-methylpyridine-3-carboxylic acid
• CAS: 179555-11-4
• 化学式: C₇H₈N₂O₂
• mdl: MFCD09835242
• 分子量: 152.153
• InChiKey: FBKFFOOSODQYPO-UHFFFAOYSA-N

物化性质

• 沸点：
  374.9±42.0 °C(Predicted)
• 密度：
  1.337±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  76.2
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  应存于室温、避光且保持在惰性气体中的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-4-methyl-5-pyridinecarboxylic acid
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-Amino-4-methyl-5-pyridinecarboxylic acid
CAS number: 179555-11-4

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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: C7H8N2O2
Molecular weight: 152.2

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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

制备方法与用途

用途

2-氨基-4-甲基吡啶-5-甲酸是一种医药中间体，可在酸性或碱性条件下通过加热6-氨基-4-甲基烟腈的水解反应来制备。

反应信息

• 作为反应物：
  描述：

  2-氨基-4-甲基吡啶-5-甲酸 在 硫酸 、 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 1.5h， 生成 7-methylimidazo[1,2-a]pyridine-6-carboxylic acid methyl ester
  参考文献：
  名称：

  [EN] 4-ARYL-BUTANE-1,3-DIAMIDES
  [FR] 4-ARYL-BUTANE-1,3-DIAMIDES

  摘要：

  这项发明涉及以下式(I)的化合物：其中取代基如规范中所定义；以自由形式或盐形式存在；其制备方法，其作为药物的用途以及包含它的药物。

  公开号：

  WO2011073316A1
• 作为产物：
  描述：

  2-氨基-5-氰基-4-甲基吡啶 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 2-氨基-4-甲基吡啶-5-甲酸
  参考文献：
  名称：

  一系列带有取代的2-吡啶酮的铱配合物的合成及其在中性条件下对醇的无受体脱氢的催化性能

  摘要：

  已经合成了一系列带有5-和4,5-取代的2-丙酮酸酯配体的Cp * Ir配合物，并且已经在中性条件下研究了它们对醇的无受体脱氢的催化性能。在5-位的吸电子基团，例如甲氧基羰基，三氟甲基，氰基和硝基，促进了1-苯基乙醇的无受体脱氢，而在5-位的供电子甲基则阻碍了反应。此外，在4-位引入甲基改善了催化性能。因此，Cp * Ir（5-三氟甲基-4-甲基-2-吡啶酮酸酯）Cl（2bc）在所检测的配合物中表现出最高的催化性能，并且对于伯醇的无受体脱氢也显示出良好的催化性能。

  DOI：

  10.1016/j.jorganchem.2017.05.018

文献信息

• Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them
  申请人：——

  公开号：US20040072871A1

  公开（公告）日：2004-04-15

  A compound of formula (I) selected from: 1 wherein: X represents oxygen or sulphur, Y represents oxygen, —NH— or —N(C 1 -C 6 )alkyl-, R a represents hydrogen, halogen, (C 1 -C 3 )alkyl, hydroxyl or (C 1 -C 3 )alkoxy, R b represents hydrogen, halogen or (C 1 -C 3 )alkyl, A represents phenyl, pyridyl, (C 5 -C 6 )cycloalkyl or (C 5 -C 6 )cycloalkenyl, R 1 and R 2 each represent a group selected from hydrogen, halogen, cyano, nitro, haloalkyl, haloalkoxy, alkyl, alkenyl, alkynyl, —OR 4 , —NR 4 R 5 , —S(O) n R 4 , —C(O)R 4 , —CO 2 R 4 , —O—C(O)R 4 , —C(O)NR 4 R 5 , —NR 5 —C(O)R 4 , —NR 5 —SO 2 R 4 , -T-CN, -T-OR 4 , -T-OCF 3 , -T- NR 4 R 5 , -T-S(O) n R 4 , -T-C(O)R 4 , -T-CO 2 R 4 , -T-O—C(O)R 4 , -T-C(O)NR 4 R 5 , -T-NR 4 —C(O)R 5 , -T-NR 4 —SO 2 R 5 , —R 6 and -T-R 6 in which n, T, R 4 , R 5 and R 6 are as defined in the description, R 3 represents an —R 7 or —U—R 11 group in which R 7 represents hydrogen, alkyl, aryl, cycloalkyl or heterocycle, U represents a linear or branched alkylene chain and R 11 is defined in the description, their optical isomers or their addition salts with a pharmaceutically acceptable acid or base, and their use as inhibitor of metalloproteinase and more specifically of metalloproteinase-12.

  公式（I）所选的化合物如下： 其中： X代表氧或硫， Y代表氧，-NH-或-N（C1-C6）烷基-， Ra代表氢，卤素，（C1-C3）烷基，羟基或（C1-C3）甲氧基， Rb代表氢，卤素或（C1-C3）烷基， A代表苯基，吡啶基，（C5-C6）环烷基或（C5-C6）环烯基， R1和R2分别代表从氢，卤素，氰基，硝基，卤代烷基，卤代甲氧基，烷基，烯基，炔基，-OR4，-NR4R5，-S（O）nR4，-C（O）R4，-CO2R4，-O—C（O）R4，-C（O）NR4R5，-NR5—C（O）R4，-NR5—SO2R4，-T-CN，-T-OR4，-T-OCF3，-T-NR4R5，-T-S（O）nR4，-T-C（O）R4，-T-CO2R4，-T-O—C（O）R4，-T-C（O）NR4R5，-T-NR4—C（O）R5，-T-NR4—SO2R5，-R6和-T-R6中选择的基团，其中n，T，R4，R5和R6如描述中所定义， R3代表-R7或-U-R11基团，其中R7代表氢，烷基，芳基，环烷基或杂环烷基，U代表线性或支链烷基链，R11如描述中所定义， 它们的光学异构体或它们与药学上可接受的酸或碱形成的加合盐，以及它们作为金属蛋白酶抑制剂，更具体地是金属蛋白酶-12的抑制剂的用途。
• [EN] NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS PHARMACEUTIQUES ASSOCIÉES POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2019076716A1

  公开（公告）日：2019-04-25

  The present invention discloses compounds according to Formula I: (Formula I) Wherein R1, L1, R2, L2, R3, Cy, and the subscript n are as defined herein. The present invention relates to compounds, methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of allergic diseases, inflammatory diseases, metabolic diseases, autoinflammatory diseases, autoimmune diseases, proliferative diseases, transplantation rejection, diseases involving impairment of cartilage turnover, congenital cartilage malformations, and/or diseases associated with hypersecretion of IFNα, IL12 and/or IL23 by administering the compound of the invention.

  本发明公开了根据式I的化合物：（式I）其中R1，L1，R2，L2，R3，Cy和下标n如本文所定义。本发明涉及化合物、其生产方法、包括其在内的药物组合物，以及使用这些化合物进行预防和/或治疗过敏性疾病、炎症性疾病、代谢性疾病、自身炎症性疾病、自身免疫性疾病、增殖性疾病、移植排斥、涉及软骨周转受损、先天软骨畸形和/或与IFNα、IL12和/或IL23过度分泌相关的疾病的治疗方法。
• Substituted 2-aminopyridines as inhibitors of nitric oxide synthase
  申请人：Merck & Co., Inc.

  公开号：US05972975A1

  公开（公告）日：1999-10-26

  Substituted 2-aminopyridine compounds of Formula (I) and pharmaceutically acceptable salts which have been found useful in the treatment of nitric oxide synthase mediated diseases and disorders. ##STR1##

  公式（I）中的2-氨基吡啶化合物及其药用盐已被发现在治疗一氧化氮合酶介导的疾病和紊乱中具有用处。
• [EN] IMIDAZO[4,5-C]PYRIDINE DERIVED SSAO INHIBITORS<br/>[FR] INHIBITEUR DE SSAO DÉRIVÉ D'IMIDAZO[4,5-C]PYRIDINE
  申请人：PROXIMAGEN LTD

  公开号：WO2016042331A1

  公开（公告）日：2016-03-24

  A compound as set out in claim 1, and the use of the same in therapy.

  权利要求1中所述的化合物，以及将其用于治疗。
• PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6
  申请人：Brain Christopher Thomas

  公开号：US20130150342A1

  公开（公告）日：2013-06-13

  The invention is directed to novel pyrrolopyrimidine compounds of formula (I) wherein R 1 , R 2Y , R 4 , R 8 -R 11 , A and L are defined herein and to salts, including pharmaceutically acceptable salts thereof. The compounds of the present invention are CDK4/6 inhibitors and could be useful in the treatment of diseases and disorders mediated by CDK4/6, such as cancer, including mantle cell lymphoma, liposarcoma, non small cell lung cancer, melanoma, squamous cell esophageal cancer and breast cancer. The invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CDK4/6 activity and to the treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及公式（I）的新型吡咯并嘧啶化合物，其中R1，R2Y，R4，R8-R11，A和L在此处定义，并且包括其盐，包括医药上可接受的盐。本发明的化合物是CDK4/6抑制剂，可用于治疗由CDK4/6介导的疾病和障碍，如癌症，包括曼托细胞淋巴瘤，脂肪肉瘤，非小细胞肺癌，黑色素瘤，鳞状细胞食管癌和乳腺癌。本发明还涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制CDK4/6活性和治疗与之相关的障碍的方法。