CAS: 54-85-3; 4-Pyridinecarboxylic Acid Hydrazide

该化合物是一种抗微生物剂,对Mycobiterium结核病表现出强大的抗药性,其主要优势在于它能够迅速抑制细菌细胞壁合成和DNA复制,使之成为治疗结核病的一个关键组成部分.在低浓度的情况下,Isoniazid降低了获得的抗药性风险.

⚠️《化妆品禁用原料目录》
英文名称4-Pyridinecarboxylic Acid Hydrazide
中文名称异烟肼
IUPAC名称isonicotinohydrazide
其它别名异烟肼; 异烟酸肼; Inh; Isonicotinic Acid Hydrazide; Isonicotinic Hydrazide
CAS编号54-85-3
MFCD编号:MFCD00006426
EINECS号:200-214-6
FDA UNII编号:V83O1VOZ8L
分子式:C6H7N3O
分子量:137.14
产品CID: 2508372
产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

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

相似化合物

54-92-2 1078-38-2 1453-82-3

物理性质

熔点171-173°C
沸点251.97 °C at 760 mmHg
闪点>250°C
密度1.2±0.1 g/cm3
PH:6-8 (50g/l, H2O, 20°C)
pKa:pKa 2.00/3.60/10.8(H2O) (Uncertain)
PSA:68.01
LogP:-0.3149
折射率1.584
蒸汽压4.6X10-5 mm Hg at 25 °C /Estimated/
溶解性125G/l
敏感性空气敏感
外观形态白色或无色晶体或结晶粉末
储存条件2-8°C
产品应用该品用作高效;低毒;价廉的抗结核病首选药物,也用作电镀添加剂和制药的中间体.导烟肼与甲醛亚硫酸氢钠缩合可制得异烟肼甲烷磺酸[13447-95-5].与甲醛缩合成双异烟肼.这一缩合反应较溶易进行,将甲醛加入异烟肼水溶液,在65°C左右反应半小时即可.异烟肼与香草酸的缩合也在水溶液中进行,反应温度是95°C左右,生成异烟腙.这些异烟肼衍生物都是抗结核药物.异烟肼类以异烟肼的作用最好,异烟腙对结核菌的作用较异烟肼弱,但对神经系统及肝脏的毒性较异烟肼轻.
性质描述白色针状结晶.熔点174.4°C.在水中的溶解度:25°C,约14;40°C,约26.在乙醇中的溶解度:25°C,约2.在沸乙醇中约10.微溶于氯仿,实际上不溶于苯和醚.无气味.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
皮肤腐蚀/刺激类别2
生殖毒性类别1A
STOT SE 2
特定目标器官毒性-重复接触类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
致癌性类别2
致突变性类别2
生殖毒性类别2
警示词Warning(警告)
危险描述H302 |吞咽有害.
H315 |造成皮肤刺激.
H360 |可能损害生育能力或胎儿.
H371 |可能损害器官.
H373 |长期或反复接触可能损害器官.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
H351 |怀疑致癌.
H341 |怀疑导致遗传缺陷.
H361 |怀疑对生育能力或胎儿造成损害.
H372 |长期或反复接触损害器官.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级9
UN编号3077.0
危险品标志Xn
包装等级Ⅲ
安全声明37-36/37/39-26
危险类别码22-38-40-36/37/38
WGK Germany3

欧盟法规

ECHA物质ECHA物质化妆品禁用物质清单C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

4-Methoxycarbonylpyridinium Chloride置于一水合肼体系中,用乙醇作为反应溶剂,化学反应 2.5H,以84.5%的收率获得产物异烟肼
参考文献:一种异烟肼的制备方法
标题:一种异烟肼的制备方法
摘要:本发明公开了一种异烟肼的制备方法,该制备方法以异烟酸,氯化亚砜以及醇为原料,采用一步法合成异烟酸酯盐酸盐,再由异烟酸酯盐酸盐直接与水合肼进行缩合反应,制得异烟肼成品,或者将异烟酸酯盐酸盐进行碱游离后,再与水合肼进行缩合反应,制得异烟肼成品;该制备方法具有反应条件温和,操作简单,成品纯度高,制备速度快,能耗低等优点,适合工业化生产等优点.

海关参考信息

2912110000-甲醛
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:EP-0671928-B1
优先权日:1992-09-24
标题 :Synthesis of n-substituted oligomers
发明人：ZUCKERMANN RONALD N; KERR JANICE M; KENT STEPHEN BRIAN HENRY; MOOS WALTER H; SIMON REYNA J; GOFF DANE A
权利人:CHIRON CORP
摘要:Poly N-substituted Glycines (poly NSGs), wherein the substituents bear purine or pyrimidine bases (R<9>) every second glycine: In addition, a solid phase method for the synthesis of N-substituted oligomers of more general structures is disclosed.The poly NSGs obtainable by this method can have a wide variety of side-chain substituents. Each N-substituted glycine monomer is assembled from two 'sub-monomers' directly on the solid support. Each cycle of monomer addition consists of two steps: (1) acylation of a secondary amine bound to the support with an acylating agent comprising a leaving group capable of nucleophilic displacement by -NH2, such as a haloacetic acid, and (2) introduction of the side-chain by nucleophilic displacement of the leaving group, such as halogen (as a resin-bound alpha -haloacetamide) with a sufficient amount of a second sub-monomer comprising an -NH2 group, such as a primary amine, alkoxyamine, semicarbazide, acyl hydrazide, carbazate or the like. Repetition of the two step cycle of acylation and displacement gives the desired oligomers. The efficient synthesis of a wide variety of oligomeric NSGs using the automated synthesis technology of the present method makes these oligomers attractive candidates for the generation and rapid screening of diverse peptidomimetic libraries. The oligomers of the invention, such as N-substituted glycines (i.e. poly NSGs) disclosed here provide a new class of peptide-like compounds not found in nature, but which are synthetically accessible and have been shown to possess significant biological activity and proteolytic stability.

专利号:US-5026773-A
优先权日:1987-03-11
标题 :Apparatus for a solid phase synthesis of peptide analogs
发明人：STEEL SAMUEL
权利人:STEEL SAMUEL
摘要:A novel polymeric disc, wafer or similarly shaped resin for carrying out the synthesis of peptide analogs via solid phase peptide synthesis techniques is provided. The polymeric disc or wafer of the invention may be made out of those resin materials presently used in bead form in solid phase peptide synthesis, such as, benzhydrylamine resins, Boc-aminoacyl-4-(oxymethyl)-phenyacetamidomethyl (Pam) resin, polyamide resins and chloromethyl resins. The disc or wafer of the invention should, preferably, have a thickness of 200-400 mu m and may be of any suitable length or width. A process for the synthesis of peptide analogs utilizing the polymeric disc or wafer of the present invention is also disclosed.

专利号:US-7514559-B2
优先权日:2004-03-22
标题 :Catalyst for synthesis of 2- and 4-picolines
发明人：DUTTA PASHUPATI; ROY SUBHASH CHANDRA; ROY SHYAM KISHORE; GOSWAMI TARUN KANTI
权利人:COUNCIL SCIENT IND RES
摘要:The present invention provides a catalyst composite for the synthesis of 2- and 4-picolines and a process for the preparation thereof and use thereof for the synthesis of 2- and 4-Picolines.

专利号:US-6994986-B2
优先权日:1999-03-17
标题:In vitro synthesis of polypeptides by optimizing amino acid metabolism
发明人：SWARTZ JAMES ROBERT; KIM DONG-MYUNG
权利人:UNIV LELAND STANFORD JUNIOR
摘要:Compositions and methods are provided for the enhanced in vitro synthesis of polypeptides. In order to improve the performance of in vitro protein synthesis reactions, metabolic inhibitors, or manipulation of a source organism, is used to diminish or avoid the action of enzymes responsible for undesirable amino acids production or depletion. A homeostatic system may be used for production of ATP, where the required high energy phosphate bonds are generated in situ, e.g. through coupling with an oxidation reaction. The homeostatic energy source will typically lack high energy phosphate bonds itself, and will therefore utilize free phosphate in the reaction mix during generation of ATP. The homeostatic energy source is provided in combination with an enzyme that catalyzes the creation of high energy phosphate bonds and with an enzyme that can use that high energy phosphate bond to regenerate ATP.

专利号:EP-2644590-A1
优先权日:2012-03-30
标题:Synthesis of 2-(3,4-difluorophenyl)cyclopropanamine derivatives and salts
权利人:LEK PHARMACEUTICALS
摘要:The present invention relates to the field of organic synthesis and describes the synthesis of specific intermediates suitable for the preparation of triazolopyrimidine compounds such as ticagrelor.

专利号:US-10925977-B2
优先权日:2006-10-05
标题 :Efficient synthesis of chelators for nuclear imaging and radiotherapy: compositions and applications
发明人：YANG DAVID J; YU DONGFANG; THOMPSON ANDREW S
权利人:YANG DAVID J; YU DONGFANG; THOMPSON ANDREW S; CEIL POINT LLC; UNIV TEXAS
摘要:Novel methods of synthesis of chelator-targeting ligand conjugates, compositions comprising such conjugates, and therapeutic and diagnostic applications of such conjugates are disclosed. The compositions include chelator-targeting ligand conjugates optionally chelated to one or more metal ions. Methods of synthesizing these compositions in high purity are also presented. Also disclosed are methods of imaging, treating and diagnosing disease in a subject using these novel compositions, such as methods of imaging a tumor within a subject and methods of diagnosing myocardial ischemia.

其他信息查阅

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