Methyl 2-Aminoisonicotinate 2-氨基异烟酸甲酯

CAS 6937-03-7 MFCD04039316

化学结构图

6937-03-7
SMILES: COC(=O)c1ccnc(N)c1

化学属性

Mol. FormulaC7H8N2O2
Mol. Weight152.15
Melting Point146-148°C
TSCANo
Density1.422
Boiling Point296.1°C at 760 mmHg
Flash Point132.9°C

别名和识别编码

Chemical NameMethyl 2-Aminoisonicotinate
CAS Number6937-03-7
Alfabeta NameMETHYLAMINOPYRIDINECARBOXYLATE 24---
MDL NumberMFCD04039316
Synonym Methyl 2-aminoisonicotinate {LY} Methyl 2-aminoisonicotinate {} {LY} Methyl 2-aminoisonicotinate {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-aminoisonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl
EC Number000-000-0
Beilstein Registry Number128642
Reaxys-RN128642
Chemical Name Translation2-氨基异烟酸甲酯
PubChem Substance ID236984
LabNetwork Molecule IDLN00008439
InChIInChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)
Canonical SMILESO=C(C1=CC(N)=NC=C1)OC
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分类

  • {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {KO} AminesPrimary
  • Inhibitors
  • Heterocycles
  • Amines
  • {KO} Esters

产品应用

  • A nitrogen monoxide synthetase inhibitor.

相关文献及参考

  • Elkins, J., et al.: J. Biol. Chem., 278, 1802 (2003),
  • Epstein, A., et al.: J. Cell., 107, 43 (2001),

安全信息

Warnings IRRITANT
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S26/36
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
GHS Symbol
WGK Germany2
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
Signal word Danger Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
3
Rotatable Bonds
2
LogP
3.802000000000000e-001

其他信息

  • Alfa Aesar:2-氨基吡啶-4-羧酸苯甲酸甲酯,97% Methyl 2-aminopyridine-4-carboxylate, 97%(6937-03-7)
  • 下游产品:4-氨甲基吡啶-2-氨基甲酸叔丁酯 --> 2-叔丁氧基甲酰氨基吡啶-4-基)甲基 甲磺酸酯 --> (4-甲氧基羰基吡啶-2-基)氨基甲酸酯
  • Sigma Aldrich:6937-03-7(sigmaaldrich)
  • MOL 文件:6937-03-7.mol
  • 2-氨基异烟酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L19869 2-氨基吡啶-4-羧酸苯甲酸甲酯, 97% Methyl 2-aminopyridine-4-carboxylate, 97% 5g 1932元 2010/05/25 L19869 2-氨基吡啶-4-羧酸苯甲酸甲酯, 97% Methyl 2-aminopyridine-4-carboxylate, 97% 1g 542元

系列性分类

  1. C8 to C9 - Pyridines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyridines 吡啶

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