简介名称和标识符别名信息物化性质安全信息相关文献专业数据库参考化合物详情（旧版）相关产品

阿朴西林 | 63358-49-6

中文名称：阿朴西林

英文名称： Aspoxicillin

CAS No.： 63358-49-6

分子式： C₂₁H₂₇N₅O₇S

分子量： 493.53338

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：阿朴西林结构式

MSDS：阿朴西林MSDS

PubChem CID： 71961

价格行情：阿朴西林价格

快速询单国内供应商

阿朴西林的其他展现形式

相关化合物

青霉素钠

penicillin

CAS No.：69-57-8
青霉素钾

Benzylpenicillin potassium

CAS No.：113-98-4
苄星青霉素 G

Benzathine benzylpenicillin

CAS No.：1538-09-6
氨苄西林三水合物

Ampicillin Trihydrate

CAS No.：7177-48-2
氨苄西林钠

Ampicillin sodium

CAS No.：69-52-3
氨苄西林

Ampicillin Trihydrate

CAS No.：69-53-4

简介

Aspoxicillin 是一种广谱的抗菌剂，对分离的胸膜肺炎放线杆菌 68 菌株抑制作用的 MIC90 值 <= 0.05 μg/ml。Aspoxicillin 在小鼠血清中的半衰期为 55 分钟。

名称和标识符

InChIKey	VTPLIRJKDMCHDS-OAIUPTLZSA-N
Inchi	InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25(17(30)11(24-3)8-12(22)28)13(16(23)29)9-4-6-10(27)7-5-9/h4-7,11,13-15,19,24,27H,8H2,1-3H3,(H2,22,28)(H2,23,29)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1
SMILES	CC1([C@@H](N2C([C@@H](N(C([C@H](NC)CC(N)=O)=O)[C@@H](C(N)=O)C3=CC=C(O)C=C3)[C@H]2S1)=O)C(O)=O)C

别名信息

- 中文别名 -

阿朴西林
阿帕西林
萘啶青霉素
阿扑西林三水酸
(2S,5R,6R)-6-[(2R)-2-[(2R)-2-氨基-3-(N-甲基氨基甲酰)-丙酰胺基]-2-(4-羟基苯基)乙酰胺基]-3,3-二甲基-7-氧代-4-硫-1-氮杂双环[3.2.0]庚烷-2-羧酸三水物

阿扑西林
西林

- 英文别名 -

Aspoxicillin
(2S,5R,6R)-6-[(2R)-2-[(2R)-2-Amino-3-(N-methylcarbamoyl)-propionamido]-2-(p-hydroxyphenyl)acetamido]-3,3-dimehtyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate
Aspoxicilin
ASPOXICILLIN 3-HYDRATE
Doyle

n(sup4)-methyl-d-asparagininylamoxicillin
TA 058
Doyle (TN)
Aspoxicilline
Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, (2S-(2-alpha,5-alpha,6-beta))-
AKOS040732482
GTPL12293
SCHEMBL34176
Aspoxicillinum [Latin]
DB13816
ASPOXICILLIN [WHO-DD]
UNII-0745KNO26J
CS-0114376
D07469
DTXSID6046921
CHEBI:31240
ASPOXICILLIN [INN]
MS-29166
0745KNO26J
Q27114235
Aspoxicilina [Spanish]
ASPOXICILLIN [MI]
Aspoxicillan
Aspoxicilline [French]
CHEMBL1318150
(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-amino-4-methylamino-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
NS00011613
(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-amino-4-(methylamino)-4-oxo-butanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Aspoxicillin (JAN/INN)
Tox21_112810
NCGC00181352-01
BHELIUBJHYAEDK-OAIUPTLZSA-N
Aspoxicillinum
N(sup 4)-Methyl-D-asparagininylamoxicillin
Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-D-2-(4-hydroxyphenyl)-, [2S-(2?,5?,6?)]-
ASPC
Aspoxicillin
Doyle
TA 058
Aspoxicillin (>80%)
63358-49-6
CCRIS 2514
Aspoxicillin [INN:JAN]
TA-058
aspoxicillin
Aspoxicilina
ASPOXICILLIN [MART.]
(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
HY-135842
DTXCID4026921
CAS-63358-49-6
(2S,5R,6R)-6-((2R)-2-((2R)-2-Amino-3-(methylcarbamoyl)propionamido)-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

物化性质

实验特性

LogP	0.35450
PSA	215.87000
折射率	1.672
沸点	985.1 °C at 760 mmHg
熔点	195-198° (dec)
闪点	549.5 °C
颜色与性状	无色结晶性粉末。
密度	1.51

计算特性

精确分子量	494.14700
氢键供体数量	5
氢键受体数量	12
可旋转化学键数量	10
同位素质量	493.163
重原子数量	34
复杂度	861
同位素原子数量	0
确定原子立构中心数量	5
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	_3.4
拓扑分子极性表面积	217A^2

安全信息

符号：	GHS07
RTECS号	MB7548000
WGK Germany	3
安全说明	S26
风险术语	R36/37/38
危险品标志	Xi
危险品运输编号	NONH for all modes of transport
危害声明	H315-H319-H335
警示性声明	P261-P305+P351+P338
储存条件	2-8°C
危险类别码	36/37/38
信号词	Warning

相关文献

1. Size-tuneable and immunocompatible polymer nanocarriers for drug delivery in pancreatic cancer
Andrea Bistrovi? Popov,Francesca Melle,Emily Linnane,Cristina González-López,Ishtiaq Ahmed,Badri Parshad,Christoph O. Franck,Hassan Rahmoune,Frances M. Richards,Daniel Mu?oz-Espín,Duncan I. Jodrell,David Fairen-Jimenez,Ljiljana Fruk Nanoscale 2022 14 6656
2. Safety of nanoparticles based on albumin–polymer conjugates as a carrier of nucleotides for pancreatic cancer therapy
Kazuaki Taguchi,Hongxu Lu,Yanyan Jiang,Tzong Tyng Hung,Martina H. Stenzel J. Mater. Chem. B 2018 6 6278
3. Safety of nanoparticles based on albumin–polymer conjugates as a carrier of nucleotides for pancreatic cancer therapy
Kazuaki Taguchi,Hongxu Lu,Yanyan Jiang,Tzong Tyng Hung,Martina H. Stenzel J. Mater. Chem. B 2018 6 6278
4. Facile synthesis and biological evaluation of tryptamine-piperazine-2,5-dione conjugates as anticancer agents
Jiang-Ping Meng,Shi-Qiang Li,Yan Tang,Zhi-Gang Xu,Zhong-Zhu Chen,Li-Xia Gao RSC Adv. 2021 11 27767
5. Penetration and drug delivery of albumin nanoparticles into pancreatic multicellular tumor spheroids
Hongxu Lu,Lubna Noorani,Yanyan Jiang,Alice W. Du,Martina H. Stenzel J. Mater. Chem. B 2017 5 9591
6. Small molecule inhibitors in pancreatic cancer
Jufeng Sun,Cecilia C. Russell,Christopher J. Scarlett,Adam McCluskey RSC Med. Chem. 2020 11 164
7. Zn(ii) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and -9 independent apoptose induction
Nenad R. Filipovi?,Sne?ana Bjelogrli?,Aleksandar Marinkovi?,Tatjana ?. Verbi?,Ilija N. Cvijeti?,Milan Sen?anski,Marko Rodi?,Miroslava Vuj?i?,Du?an Sladi?,Zlatko Strikovi?,Tamara R. Todorovi?,Christian D. Muller RSC Adv. 2015 5 95191
8. Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines
Nenad R. Filipovi?,Sne?ana Bjelogrli?,Gustavo Portalone,Sveva Pelliccia,Romano Silvestri,Olivera Klisuri?,Milan Sen?anski,Dalibor Stankovi?,Tamara R. Todorovi?,Christian D. Muller Med. Chem. Commun. 2016 7 1604
9. Quinoline based mono- and bis-(thio)carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models
Aleksandra Bo?i?,Aleksandar Marinkovi?,Sne?ana Bjelogrli?,Tamara R. Todorovi?,Ilija N. Cvijeti?,Irena Novakovi?,Christian D. Muller,Nenad R. Filipovi? RSC Adv. 2016 6 104763
10. Toxicological assessment of arsenic-containing phosphatidylcholines in HepG2 cells
Hannah Finke,Viktoria K. Wandt,Franziska Ebert,Nikolaus Guttenberger,Ronald A. Glabonjat,Michael Stiboller,Kevin A. Francesconi,Georg Raber,Tanja Schwerdtle Metallomics 2020 12 1159

专业数据库参考

PubChemId	71961

化合物详情（旧版）

SMILES

CNC(=O)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H]1[C@@H]2N(C1=O)C(C(O)=O)C(C)(C)S2)C3=CC=C(O)C=C3

阿朴西林 | 63358-49-6

平台在线客服