4-氨基-6-甲基烟酸 | 127915-50-8

• 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: 4-氨基-6-甲基烟酸
• 英文名称: 4-amino-6-methylnicotinic acid
• 英文别名: 4-amino-6-methylpyridine-3-carboxylic acid
• CAS: 127915-50-8
• 化学式: C₇H₈N₂O₂
• 分子量: 152.153
• InChiKey: WUSQVMYMTQCNAV-UHFFFAOYSA-N

物化性质

• 沸点：
  385.5±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)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 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

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Amino-6-methylnicotinic acid
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Amino-6-methylnicotinic acid
CAS number: 127915-50-8

---

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.

---

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.

---

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.

---

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:

---

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.

---

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

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氨基-6-甲基烟酸 在 ammonium acetate 、 potassium carbonate 、 potassium iodide 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 44.0h， 生成 3-(4-methoxybenzyl)-2,7-dimethylpyrido[4,3-d]pyrimidin-4(3H)-one
  参考文献：
  名称：

  [EN] EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS
  [FR] COMPOSÉS DE 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE INHIBANT EIF4E

  摘要：

  本发明提供了根据式I合成的化合物、药用可接受的配方和用途，或其立体异构体、互变异构体或药用可接受的盐。对于式I化合物，X1、X2、X3、X4、X5、X6、Q、L1、L2、Y、R1、R2、R3、R4、R5、R6、R7、R8和环A、B和C的定义如规范中所述。创新的式I化合物是eIF4e的抑制剂，并在许多治疗应用中发挥作用，包括但不限于治疗炎症和各种癌症。

  公开号：

  WO2021003157A1
• 作为产物：
  描述：

  5-乙基-2-甲基-4-硝基吡啶 1-氧化物 在 chromium(VI) oxide 、 盐酸 、 sodium hydroxide 、 pyridinium hydrobromide perbromide 、 硫酸 、 氢溴酸 、 铁粉 、 溶剂黄146 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 反应 12.0h， 生成 4-氨基-6-甲基烟酸
  参考文献：
  名称：

  Neef, Holger; Golbik, Ralph; Fahlbusch, Baerbel, Liebigs Annalen der Chemie, 1990, # 9, p. 913 - 916

  摘要：

  DOI：

文献信息

• Inhibiting the growth of weeds with 2-substituted pyrdidopyimidines and
  申请人：Pfizer Inc.

  公开号：US03950160A1

  公开（公告）日：1976-04-13

  2-Substituted pyridopyrimidines and their alkali and alkylamine salts as herbicides, and processes for the synthesis of starting materials leading to the preparation thereof.

  2-取代吡啶嘧啶及其碱和烷胺盐作为除草剂，以及用于合成导致其制备的起始材料的过程。
• MIF INHIBITORS AND THEIR USES
  申请人：Gaweco Anderson

  公开号：US20150065480A1

  公开（公告）日：2015-03-05

  The invention relates to MIF inhibitors; compositions comprising an effective amount of a MIF inhibitor; and methods for treating or preventing diseases associated with MIF.

  这项发明涉及MIF抑制剂；包含有效量MIF抑制剂的组合物；以及用于治疗或预防与MIF相关疾病的方法。
• Design, Synthesis, and Evaluation of Nonretinoid Retinol Binding Protein 4 Antagonists for the Potential Treatment of Atrophic Age-Related Macular Degeneration and Stargardt Disease
  作者：Christopher L. Cioffi、Nicoleta Dobri、Emily E. Freeman、Michael P. Conlon、Ping Chen、Douglas G. Stafford、Daniel M. C. Schwarz、Kathy C. Golden、Lei Zhu、Douglas B. Kitchen、Keith D. Barnes、Boglarka Racz、Qiong Qin、Enrique Michelotti、Charles L. Cywin、William H. Martin、Paul G. Pearson、Graham Johnson、Konstantin Petrukhin

  DOI：10.1021/jm5010013

  日期：2014.9.25

  Accumulation of lipofuscin in the retina is associated with pathogenesis of atrophic age-related macular degeneration and Stargardt disease. Lipofuscin bisretinoids (exemplified by N-retinylidene-N-retinylethanolamine) seem to mediate lipofuscin toxicity. Synthesis of lipofuscin bisretinoids depends on the influx of retinol from serum to the retina. Compounds antagonizing the retinol-dependent interaction of retinol-binding protein 4 (RBP4) with transthyretin in the serum would reduce serum RBP4 and retinol and inhibit bisretinoid formation. We recently showed that A1120 (3), a potent carboxylic acid based RBP4 antagonist, can significantly reduce lipofuscin bisretinoid formation in the retinas of Abca4(-/-). mice. As part of the NIH Blueprint Neurotherapeutics Network project we undertook the in vitro exploration to identify novel conformationally flexible and constrained RBP4 antagonists with improved potency and metabolic stability. We also demonstrate that upon acute and chronic dosing in rats, 43, a potent cyclopentyl fused pyrrolidine antagonist, reduced circulating plasma RBP4 protein levels by approximately 60%.
• NEEF, HOLGER;GOLBIK, RALPH;FAHLBUSCH, BARBEL;SCHELLENBERGER, ALFRED, LIEBIGS ANN. CHEM.,(1990) N, C. 913-916
  作者：NEEF, HOLGER、GOLBIK, RALPH、FAHLBUSCH, BARBEL、SCHELLENBERGER, ALFRED

  DOI：——

  日期：——
• HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES
  申请人：PFIZER INC.

  公开号：EP0831829A1

  公开（公告）日：1998-04-01