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cephalexin monohydrate - 98%, high purity , Bacterial penicillin-binding protein inhibitor, CAS No.23325-78-2, Bacterial penicillin-binding protein inhibitor
Basic Description
Synonyms
(6R,7R)-7-[(R)-2-Amino-2-phenylacetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrate | (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--water (1/1) |
Specifications & Purity
≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Mechanism of action
Bacterial penicillin-binding protein inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Cephems Aralkylamines 1,3-thiazines Benzene and substituted derivatives Tertiary carboxylic acid amides Amino acids Azetidines Dialkylthioethers Carboxylic acids Carboximidic acids Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cephem - Aralkylamine - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Lactam - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Thioether - Hemithioaminal - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
hydrate
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504753892
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504753892
IUPAC Name
(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
INCHI
InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1
InChIKey
AVGYWQBCYZHHPN-CYJZLJNKSA-N
Smiles
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O
Isomeric SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O.O
Alternate CAS
15686-71-2
Molecular Weight
365.4
Reaxy-Rn
5788593
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5788593&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in DMSO
Flash Point(°C)
393.7°C
Boil Point(°C)
727.4°C
Molecular Weight
365.400 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
4
Exact Mass
365.105 Da
Monoisotopic Mass
365.105 Da
Topological Polar Surface Area
139.000 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
600.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Citations of This Product
1.
Daikun Li, Wei Zhan, Xinlei Gao, Qi Wang, LiPin Li, Jun Zhang, Guiyuan Cai, Wei Zuo, Yu Tian.
(2023)
Aminated waste paper membrane for efficient and rapid filtration of anionic dyes and antibiotics from water. CHEMICAL ENGINEERING JOURNAL,
455
(140641).
2.
Shuting Xie, Ri He, Qifan Zhu, Mingliang Jin, Ruizhi Yang, Shitao Shen, Jiayi Cui, Yiying Zou, Minmin Zhang, Lingling Shui.
(2022)
Label-free optical sensor based on liquid crystal sessile droplet array for penicillin G determination. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,
644
(128728).
3.
Gongxi Qiao, Gui Chen, Qin Wen, Wanqiang Liu, Jinwei Gao, Zhiqiang Yu, Qianming Wang.
(2020)
Rapid conversion from common precursors to carbon dots in large scale: Spectral controls, optical sensing, cellular imaging and LEDs application. JOURNAL OF COLLOID AND INTERFACE SCIENCE,
580
(88).
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3 Citations
F2525012