CAS: 89604-92-2; (Z)-Tert-Butyl 2-(((1-(2-Aminothiazol-4-yl)-2-(Benzo[d]Thiazol-2-Ylthio)-2-Oxoethylidene)Amino)Oxy)-2-Methylpropanoate

该化合物是一个复杂的有机化合物,具有独特的结构特征,包含多种功能组,包括氨基组,硫诺和苯并氮酸,有助于其生物活动.二甲基组的存在表明有不育障碍,可能影响其反应和与生物目标的相互作用.这种复合物可能表现出有机溶剂溶解性,潜在生物活性及其复杂结构所特有的结合性等特性.其合成和应用可能对药用化学感兴趣,特别是针对特定生物路径的药物开发.需要通过实验研究来评估化合物的稳定性,再活性和潜在毒性,以便充分了解其特性和在各个领域的应用,包括药物开发和生物化学.

英文名称(Z)-Tert-Butyl 2-(((1-(2-Aminothiazol-4-yl)-2-(Benzo[d]Thiazol-2-Ylthio)-2-Oxoethylidene)Amino)Oxy)-2-Methylpropanoate
中文名称头孢他啶活性酯
IUPAC名称tert-butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate
其它别名(Z)-2-(2-氨基噻唑-4-基)-2-(1-叔丁氧羰基-1-甲基)乙氧亚氨基硫代乙酸(S-2-苯并噻唑)酯; 2-Mercaptobenzothiazolyl-(Z)-(2-Aminothiazol-4-yl)-2-(Tert-Butoxycarbonyl) Isopropoxyiminoacetate
CAS编号89604-92-2
MFCD编号:MFCD00071548
EINECS号:419-040-9
FDA UNII编号:PDQ29548CW
分子式:C20H22N4O4S3
分子量:478.61
产品CID: 1917816
产品分类有机原料→分子砌块→芳杂环类化合物→苯并噻唑类化合物

相似结构搜索
InChIKey: RCZJVHXVCSKDKB-OYKKKHCWSA-N
InChI=1S/C20H22N4O4S3/c1-19(2,3)27-16(26)20(4,5)28-24-14(12-10-29-17(21)22-12)15(25)31-18-23-11-8-6-7-9-13(11)30-18/h6-10H,1-5H3,(H2,21,22)/…
计算化学: 氢键受体数11.0氢键供体数1.0可旋转键数6.0

MSDS等安全信息

GHS符号GHS02,GHS07
危险类别水生慢性毒性类别4
警示词Danger
危险描述H413 |可能对水生生物造成长期有害影响.
防范说明P210-P240-P241-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P501
危险等级4.1
UN编号1325.0
危险品标志Xi
包装等级Ⅲ
安全声明61
危险类别码53

欧盟法规

统一分类与标签REACH注册ECHA物质ECHA物质REACH预注册废弃物危险特性清单

上下游产品

CAS号102772-66-7 头孢他啶叔丁酯

合成工艺路线路线简述

合成目标产物 2-Mercaptobenzothiazolyl-(Z)-(2-Aminothiazol-4-yl)-2-(Tert-Butoxycarbonyl) Isopropoxyiminoacetate 主要起始原料 2,2'-Dithiobis(Benzothiazole) And (Z)-2-Amino-Alpha-[1-(Tert-Butoxycarbonyl)]-1-Methylethoxyimino-4-Thiazolacetic Acid
86299-47-0 + 120-78-5 = 89604-92-2
反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane,Toluene; 3 H,< 30 °C
标题:Synthesis Of Side Chain Of Ceftazidime Activated Thioester
作者:Fu,Decai; Ji,Xueshi; Li,Zhongmin
参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2002 卷标:33(11) 页码:523-524]

134203-50-2 + 120-78-5 = 89604-92-2
反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile; 1 H,Rt1.2 Catalysts: Triethyl Phosphate; 2 H,< 30 °C; 4 H,< 30 °C; Overnight,Cooled
标题:Synthesis Of Side Chain Acid Of Ceftazidime And Activated Thioester
作者:Liang,Baochen; Chen,Hui; Yang,Junjie
参考文献:Zhongguo Kangshengsu Zazhi 日期:2008 卷标:33(4) 页码:206-209

海关参考信息

2902200000-苯
2905122000-异丙醇
2905143000-叔丁醇
2905310000-1,2-乙二醇
💡 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-2005100378-A1
优先权日:2004-04-13
标题:Process for the preparation of a peptide, and compounds comprising a thioester carboxyl-activating group for use therein
发明人：EVANS DAVID JOHN
权利人:AVECIA LTD; EVANS DAVID JOHN
摘要:There is provided a process for the solid-phase synthesis of a polymer which comprises reacting an amine, secondary amine or hydroxyl group of a first monomer with a thioester on a second monomer wherein at least one the monomers is immobilised on a solid-phase support. There is also provide novel activated amino acids of Formula (1) wherein: R is an amino acid side chain a protected amino acid side chain or a peptide chain; X is an amino protecting group; and Z is an optionally substituted hydrocarbyl, and certain supported activated amino acids of Formula (5) wherein: SUPPORT is a solid support; L is a linking group; R is an amino acid side chain; a protected amino acid side chain or a peptide chain; and X3is an amino protecting group or one or more amino acids linked by amide bonds where the terminal residue bears an amino protecting group for use in said process.

专利号:US-7145017-B2
优先权日:2002-08-05
标题 :Preparation of Aztreonam
发明人：GYOLLAI VIKTOR; MESZAROS SOS ERZSEBET; SZABO CSABA; SINGER CLAUDE; SALYI SZABOLCS
权利人:TEVA GYOGYSZERGYAR ZARTKOERUEN
摘要:The invention relates to a process for the synthesis of Aztreonam. Specifically, the process entails hydrolyzing [3S-[3Î±(Z),4Î²]]-3-[[(2-amino-4-thiazolyl)[(1-t-butoxycarbonyl-1-methylethoxy)imino]acetyl]amino]-4-methyl-2-oxo-1-azetidinesulfonic acid (t-Bu Aztreonam) to form Aztreonam.

专利号:US-2016326157-A1
优先权日:2014-01-06
标题:Monobactams and methods of their synthesis and use
发明人：MYERS ANDREW G; Seiple lan Bass; SUSSMAN ROBIN JUDITH
权利人:HARVARD COLLEGE
摘要:Described herein are monobactam antibiotics of Formula (I), (Iâ€²), (II), and (IIâ€²), along with methods and intermediates for preparing these compounds. Pharmaceutical compositions and methods of treating infectious diseases using the monobactams are also provided.

专利号:CN-105315227-A
优先权日:2014-07-28
标题:Synthesis of Ceftazidime Intermediate

专利号:CN-106520857-B
优先权日:2016-08-25
标题 :A kind of method for enzymatic synthesis of aztreonam

专利号:WO-2015103583-A1
优先权日:2014-01-06
标题 :Monobactams and methods of their synthesis and use