CAS: 1772-01-6; N-Hydroxypicolinimidamide

该化合物是一个化学化合物,其特性是独特的功能组,包括一个氢氧基组和一个imidamid结构,该化合物的特征是一条丙烯酯环,有助于其芳香特性和潜在反应性.该羟基组的存在增强了其在极地溶剂中的溶解性,并可能影响其生物活动.N-Hydroxy-2-pyridineboximidamidide经常被研究其在医药化学中的潜在应用,特别是作为各种药物合成中的试剂或中间剂,其结构特征可能允许与生物目标互动,使其对药物开发具有兴趣.此外,该化合物的稳定性和再活性可能受到诸如pH和温度等环境因素的影响.

英文名称N-Hydroxypicolinimidamide
中文名称2-吡啶基脒肟
IUPAC名称(E)-N'-hydroxypicolinimidamide
其它别名Picolinamidoxime(6CI,7CI); 2-Pyridinecarboxamidoxime; 2-Pyridylamidoxime; N-Hydroxy-2-pyridinecarboximidamide; N'-Hydroxy-2-pyridinecarboximidamide; Picolinamide oxime; Picolinic acid amidoxime; Pyridine-2-amidoxime
CAS编号1772-01-6
MFCD编号:MFCD00085159
EINECS号:626-840-3
分子式:C6H7N3O
分子量:137.14
产品CID: 902160
产品分类医药中间体 → 杂环化合物中间体 → 吡啶类化合物 → 吡啶衍生物

相似结构搜索
InChIKey: NJNUYQDYGLUAAG-UHFFFAOYSA-N
InChI=1S/C6H7N3O/c7-6(9-10)5-3-1-2-4-8-5/h1-4,10H,(H2,7,9)…
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数1.0

物理性质

熔点120-124 °C(文献)
沸点350.0±34.0 °C at 760 mmHg
闪点165.5±25.7 °C
密度1.3±0.1 g/cm3
pKa:13.61±0.50(预测)
PSA:71.5
LogP:0.07
折射率1.620
蒸汽压0.0±0.8 mmHg at 25°C
溶解性DMF: 30 mg/mL; DMSO: 30 mg/mL; Ethanol: 20 mg/mL; Pbs (Ph 7.2): 1 mg/mL
敏感性常温常压下稳定
外观形态白色至淡黄色粉末至晶体
储存条件惰性气氛,室温
产品应用该化合物用于药物合成.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
防范说明P261-P305+P351+P338-P280g
危险等级IRRITANT
UN编号NONH for all modes of transport
危险品标志Xi
安全声明26-36
危险类别码36/37/38
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 2-Pyridylamid Oxime 主要起始原料 2-Cyanopyridine
(文献来源)合成步骤主要原料 2-Cyanopyridine

海关参考信息

2933310010-吡啶
2939800000-其他生物碱
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:WO-2025061707-A1
优先权日:2023-09-19
标题:Synthesis of sulfoximines containing a benzimidazole moiety
发明人：SMITS HELMARS; DUMEUNIER RAPHAEL; PERROTTA DANIELE
权利人:SYNGENTA CROP PROTECTION AG
摘要:A process for the preparation of enantiomerically enriched sulfoximines of formula (I) is provided, wherein R1, R2, S*, R3, R4, X and X2 are as defined in the description.

专利号:US-9878999-B2
优先权日:2011-03-24
标题 :Proteasome chymotrypsin-like inhibition using PI-1833 analogs
发明人：LAWRENCE HARSHANI R; SEBTI SAID M; OZCAN SEVIL
权利人:H LEE MOFFITT CANCER CT & RES
摘要:Focused library synthesis and medicinal chemistry on an oxadiazole-isopropylamide core proteasome inhibitor provided the lead compound that strongly inhibits CT-L activity. Structure activity relationship studies indicate the amide moiety and two phenyl rings are sensitive toward synthetic modifications. Only para-substitution in the A-ring was important to maintain potent CT-L inhibitory activity. Hydrophobic residues in the A-ring's para-position and meta-pyridyl group at the B-ring significantly improved inhibition. The meta-pyridyl moiety improved cell permeability. The length of the aliphatic chain at the para position of the A-ring is critical with propyl yielding the most potent inhibitor, whereas shorter (i.e. ethyl, methyl or hydrogen) or longer (i.e. butyl, propyl and hexyl) chains demonstrating progressively less potency. Introduction of a stereogenic center next to the ether moiety (i.e. substitution of one of the hydrogens by methyl) demonstrated chiral discrimination in proteasome CT-L activity inhibition (the S-enantiomer was 35-40 fold more potent than the R-enantiomer).