Metamizole sodium hydrate - 10mM in DMSO , Cyclooxygenase inhibitor, CAS No.5907-38-0, Cyclooxygenase inhibitor

CAS: 5907-38-0 Cat. No.: M424930 Formula: C₁₃H₁₆N₃NaO₄S(free) Peso molecolare: 333.34(free) Numero EC: 611-790-7

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS005166879 | NSC-758445 | AKOS015918129 | AS-13510 | CCRIS 272 | Methanesulfonic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)-, sodium salt, monohydrate | sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]met

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

Metamizole sodium hydrate Metamizole (Dipyrone) sodium hydrate is a potent inhitior of cyclooxygenase (COX) with strong analgesic as well as antipyretic and spasmolytic properties.

Targets

COX

Specifications

Sinonimi

AKOS005166879 | NSC-758445 | AKOS015918129 | AS-13510 | CCRIS 272 | Methanesulfonic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)-, sodium salt, monohydrate | sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]met

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Metamizole (Dipyrone) sodium hydrate is a potent inhitior of cyclooxygenase (COX) with strong analgesic as well as antipyretic and spasmolytic properties.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Cyclooxygenase inhibitor

Nomi e identificatori

• Pubchem Sid: 528771376
• Sorrisi canonici: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].O.[Na+]
• IUPAC Name: sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;hydrate
• InChIKey: UNZIDPIPYUMVPA-UHFFFAOYSA-M
• INCHI: 1S/C13H17N3O4S.Na.H2O/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-8H,9H2,1-3H3,(H,18,19,20);;1H2/q;+1;/p-1
• Isomeri SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].O.[Na+]
• CAS alternativo: 50567-35-6
• Peso molecolare: 333.34(free)
• Reaxy-Rn: 3865381
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3865381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Dialkylarylamines Pyrazolones Benzene and substituted derivatives Vinylogous amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Dialkylarylamine - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Vinylogous amide - Heteroaromatic compound - Lactam - Organic alkali metal salt - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic salt - Organosulfur compound - Organic oxygen compound - Organic sodium salt - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• External Descriptors: organic molecular entity

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

Obiettivi associati (non umani)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 351.360 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 351.086 Da
• Monoisotopic Mass: 351.086 Da
• Topological Polar Surface Area: 93.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 552.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

XLogP3

Riferimenti

1. Lian Xu, Yan Xiao, Kun Yu, Hongshuo Pan, Jiayi Xu, Yiyun Guan, Mengke Wang, Xiangyu Xu, Hao Wang.  (2025)  Machine Learning-Assisted Chemical Tongues Based on Dual-channel Inclusion Complexes for Rapid Identification of Nonsteroidal Anti-inflammatory Drugs in Food.  ACS Sensors,      [PMID:39992799] [10.1021/acssensors.4c02806]