Penicillin V potassium salt - analytical standard , Bacterial penicillin-binding protein inhibitor, CAS No.132-98-9, Bacterial penicillin-binding protein inhibitor

CAS: 132-98-9 Cat. No.: P114310 Peso molecular: 388.48 Beilstein Registry Number: 3899451 Número EC: 205-086-5

GRADE & PURITY Analytical standard

Synonyms

Beromycin (penicillin) | Calciopen K | Distaquaine V-K | Fenocin | Isocillin | Lithium, ribbon, thickness x W 0.75 mm x 19 mm, 99.9% trace metals basis | Penicillin V potassium [USAN:USP] | Pen-V-K powder | Veetids '125' | Beepen-VK | Dov-k | MANEB, STABI

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Beromycin (penicillin) | Calciopen K | Distaquaine V-K | Fenocin | Isocillin | Lithium, ribbon, thickness x W 0.75 mm x 19 mm, 99.9% trace metals basis | Penicillin V potassium [USAN:USP] | Pen-V-K powder | Veetids '125' | Beepen-VK | Dov-k | MANEB, STABI

Especificaciones y pureza

analytical standard

Mecanismos bioquímicos y fisiológicos

Inhibits biosynthesis of cell-wall mucopeptides. Antibacterial agent. Orally active. Active in vivo .

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Tipo de acción

INHIBITOR

Mecanismo de acción

Bacterial penicillin-binding protein inhibitor

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Nombres e identificadores

• Sonrisas canónicas: CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+]
• IUPAC Name: potassium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• InChIKey: HCTVWSOKIJULET-LQDWTQKMSA-M
• INCHI: 1S/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
• Isómeros SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+]
• Peso molecular: 388.48
• Beilstein: 3899451
• Reaxy-Rn: 4119031
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4119031&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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: Phenoxy compounds Phenol ethers Penams Alkyl aryl ethers Thiazolidines Tertiary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic potassium salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Phenoxy compound - Penam - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Lactam - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organoheterocyclic compound - Dialkylthioether - Thioether - Hemithioaminal - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic potassium salt - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: 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: organic potassium salt

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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Enterococcus faecalis (29875 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 388.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 388.05 Da
• Monoisotopic Mass: 388.05 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 553.000
• 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

XLogP3

Referencias

1. Lili Zhang, Antai Zhang, Yitong Yang, Cheng Zhang, Keting Lian, Chongxuan Liu.  (2022)  Structure and function response of bacterial communities towards antibiotic contamination in hyporheic zone sediments.  CHEMOSPHERE,      [PMID:36174729] [10.1016/j.chemosphere.2022.136606]

2. Liu Yang, Xu Xinxin, Liu Liqiang, Xu Liguang, Kuang Hua, Xu Chuanlai.  (2022)  Gold-based lateral-flow strip for the detection of penconazole in watermelon and cucumber samples.  Food Quality and Safety,      [PMID:] [10.1093/fqsafe/fyac007]

3. Qiuju Wang, Zhao Zhang, Guoren Xu, Guibai Li.  (2021)  Magnetic porous biochar with nanostructure surface derived from penicillin fermentation dregs pyrolysis with K2FeO4 activation: Characterization and application in penicillin adsorption.  BIORESOURCE TECHNOLOGY,      [PMID:33581375] [10.1016/j.biortech.2021.124818]

4. Yingnan Liu, Yaqing Xiao, Min Yu, Yuanyuan Cao, Yalan Zhang, Taotao Zhe, Hui Zhang, Li Wang.  (2020)  Antimonene Quantum Dots as an Emerging Fluorescent Nanoprobe for the pH-Mediated Dual-Channel Detection of Tetracyclines.  Small,  16  (42): (2003429).  [PMID:32996281] [10.1002/smll.202003429]

5. Chen Chen, Jun Lv, Wanyi Chen, Yang Xiang, Juan Zhang.  (2016)  Colorimetric β-lactamase inhibitor assay with double catalyzed signal amplification.  NEW JOURNAL OF CHEMISTRY,  40  (3): (1982-1987).  [PMID:] [10.1039/C5NJ02356D]

6. Yanni Chen, Yongwei Wang, Liqiang Liu, Xiaoling Wu, Liguang Xu, Hua Kuang, Aike Li, Chuanlai Xu.  (2015)  A gold immunochromatographic assay for the rapid and simultaneous detection of fifteen β-lactams.  Nanoscale,  7  (39): (16381-16388).  [PMID:26394361] [10.1039/C5NR04987C]

7. Zhenbin Chen, Haohan Cai, Feng Huang, Zongping Wang, Yiqun Chen, Zizheng Liu, Pengchao Xie.  (2024)  Degradation of β-lactam antibiotics by Fe(III)/HSO3− system and their quantitative structure-activity relationship.  ENVIRONMENTAL RESEARCH,      [PMID:38986801] [10.1016/j.envres.2024.119577]

8. Yujia Chen, Wei Li, Li Wang, Bingmei Wang, Jian Suo.  (2024)  Novel inhibition of Staphylococcus aureus sortase A by plantamajoside: implications for controlling multidrug-resistant infections.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,      [PMID:39745463] [10.1128/aem.01804-24]

9. Zhiwei Qie, Jialei Bai, Bin Xie, Lin Yuan, Nan Song, Yuan Peng, Xianjun Fan, Huanying Zhou, Fengchun Chen, Shuang Li, Baoan Ning, Zhixian Gao.  (2015)  Sensitive detection of atrazine in tap water using TELISA.  ANALYST,  140  (15): (5220-5226).  [PMID:26061585] [10.1039/C5AN00636H]