tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate

HCID 53395272CAS 158183-05-2

기본 정보

표준 SMILES: CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)Sc1nc2ccccc2s1)c1csc(N)n1
InChIKey: RCZJVHXVCSKDKB-UHFFFAOYSA-N
분자식: C20H22N4O4S3
평균 분자량: 478.6 g/mol
단동위원소 질량: 478.08031818

이름 및 식별자

우선 이름: tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate
IUPAC: tert-butyl 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate
영어명: TAEM
분자식: C20H22N4O4S3
분자량: 478.61

이름 및 동의어

(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoatetaem158183-05-2C20H22N4O4S3tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoateR9H67LQ8YBSCHEMBL9712307DTXSID70869025tert-butyl (Z)-2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoateTERT-BUTYL 2-{[(Z)-[1-(2-AMINO-1,3-THIAZOL-4-YL)-2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-2-OXOETHYLIDENE]AMINO]OXY}-2-METHYLPROPANOATESB673481,1-Dimethylethyl 2-[[[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methylpropanoate

이름 더 보기

TAEM USP/EP/BPCeftazidime Impurity 132-MercaptobenzothiazolylCeftazidime intermediateCeftazidime Related Compound 1(Z)-2-(2-aminothiazol-4-yl)-2-(2-t-butoxycarbonylprop-2-oxyimino) acetate2-{{[1-(2-Amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]-amin2-Mercaptobenzothiazoyl-(Z)-2-(2-Aminothiazole-4-yl)-2-(tert-butoxycarbonylprop2-(2-AMINO-4-THIAZOLE)-2-(TERTBUTOXY ISOPROPOXYIMINO)ACETATE THIOBENZOTHIAZOLE ESTER

Propanoic acid, 2-[[[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methyl-, 1,1-dimethylethyl estertert-Butyl 2-[({1-(2-amino-1,3-thiazol-4-yl)-2-[(1,3-benzothiazol-2-yl)sulfanyl]-2-oxoethylidene}amino)oxy]-2-methylpropanoatetert-butyl 2-[[1-(2-aminothiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxo-ethylidene]amino]oxy-2-methyl-propanoate

데이터베이스 식별자

CAS: 158183-05-2
PubChem CID: 53395272
DTXSID: DTXSID70869025
UNII: R9H67LQ8YB

물성

구조 계산 물성

XLogP: 5.6
극성 표면적: 199 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 11
회전 가능 결합 수: 9
무거운 원자 수: 31
형식 전하: 0
복잡도: 713

물리화학적 성질

녹는점: 137 · 137-139 °C
끓는 점: 621.6 · 621.6±61.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
산도 계수 (pKa): 1.89 · 1.89±0.10(Predicted)
InChI: 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)/b24-14-

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도TAEM (ceftazidime intermediate) is a compound used in the synthesis of ceftazidime. Studies have shown that it is an effective drug for the treatment of cancer and can be used as a tracer for cancer diagnosis. The luminescence of ceftazidime intermediates can be detected by optical probes and can be used for the detection of epidermal growth factor, a protein that stimulates cell growth. Ceftazidime intermediates are also capable of altering the properties of cultured cells, such as proliferation, differentiation or migration.

공급사50 곳

济南百隆化学有限公司[email protected] · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

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