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Analgin structure, CAS 68-89-3

Analgin

CAS Number68-89-3

Synonymsnarone; Novil; Magnopyrol; Methamizole Sodium; Sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonate; pyrojec; Novacid; Sulpin; Sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate; Sodium 1-Phenyl-2,3-dimethyl-5-pyrazolone-4-methylaminomethanesulfonate; Unagen; fevonil; barone; Dipyron; Nartate; Anador; pyretin; ARPF; EINECS 200-694-7; Alangin; MFCD00020783

Molecular FormulaC13H16N3NaO4S

Molecular Weight351.35

Purity98%

Density

Boiling Point

Melting Point187ºC

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9009192 Purity: 98%
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Quality Control of [ 68-89-3 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number68-89-3
Catalog No.2A-9009192
Chinese Name安乃近
Synonymsnarone; Novil; Magnopyrol; Methamizole Sodium; Sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonate; pyrojec; Novacid; Sulpin; Sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate; Sodium 1-Phenyl-2,3-dimethyl-5-pyrazolone-4-methylaminomethanesulfonate; Unagen; fevonil; barone; Dipyron; Nartate; Anador; pyretin; ARPF; EINECS 200-694-7; Alangin; MFCD00020783
Molecular FormulaC13H16N3NaO4S
Molecular Weight351.35
Purity98
Melting Point187ºC
Appearancesolid
Water SolubilityWater solubility: soluble
Storage ConditionWarehouse Ventilation Low Temperature Drying
ApplicationMetamizole sodium is a non-opioid compound with good analgesic and antipyretic effects. Metamizole sodium is a cyclooxygenase-3 (COX-3) inhibitor.
HTC2933192000
SMILES[Na+].[S](=O)(=O)([O-])CN(C)c1[c]([n]([n](c1C)C)c2ccccc2)=O.O
InChI1S/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
InChI KeyUNZIDPIPYUMVPA-UHFFFAOYSA-M
NACRES CodeNA.24
UNSPSC41116107
Hazard SymbolsTransport
MSDSmsds/9192_1_68_89_3.pdf
BioactivityMetamizole sodium is a non-opioid compound with excellent analgesic and antipyretic effects. Metamizole (sodium) is a cyclooxygenase-3 (COX-3) inhibitor[1][2]. Related Catalog Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX Research Areas >> Neurological Disease Target COX-3[2] In Vitro Metamizole sodium inhibits COX-3 with IC50 value of 52 μM and COX-1 at a 6.6-fold higher concentration in insect cells[2]. Metamizole (1-500 μM; 48 hours) significantly inhibits cell proliferation in pancreatic cancer cells[3]. Cell Proliferation Assay[3] Cell Line: Pancreatic cancer cell lines PaTu 8988t and Panc-1 Concentration: 1 μM, 10 μM, 100 μM, 250 μM, 500 μM Incubation Time: 48 hours Result: Significantly inhibited cell proliferation in the PaTu 8988t cell line; significantly inhibited cell proliferation in the pancreatic cancer cell line Panc-1 at 1-250 μM. In Vivo Metamizole sodium (500 mg/kg; i.p.; twice a day; for 7 days) diminishes the development of neuropathic pain symptoms in rats[4]. Animal Model: Male Wistar rats (270-300 g), with peripheral neuropathic pain[4] Dosage: 500 mg/kg Administration: Intraperitoneal injection, twice a day, for 7 days Result: Diminished the expression of pronociceptive interleukins (IL-1beta, IL-6, and IL-18) and chemokines (CCL2, CCL4, and CCL7) in DRG measured 7 days after sciatic nerve injury. References [1]. A Jasiecka, et al. Pharmacological characteristics of metamizole. Pol J Vet Sci. 2014;17(1):207-14. [2]. N V Chandrasekharan, et al. COX-3, a cyclooxygenase-1 variant inhibited by acetaminophen and other analgesic/antipyretic drugs: cloning, structure, and expression. Proc Natl Acad Sci U S A. 2002 Oct 15; 99(21): 13926-13931. [3]. Manuela Malsy, et al. Effects of metamizole, MAA, and paracetamol on proliferation, apoptosis, and necrosis in the pancreatic cancer cell lines PaTu 8988 t and Panc-1. BMC Pharmacol Toxicol. 2017 Dec 6;18(1):77. [4]. Renata Zajaczkowska, et al. Metamizole relieves pain by influencing cytokine levels in dorsal root ganglia in a rat model of neuropathic pain. Pharmacol Rep. 2020 Oct;72(5):1310-1322. Chemical & Physical Properties Melting Point 187ºC Molecular Formula C13H16N3NaO4S Molecular Weight 333.339 Exact Mass 333.075928 PSA 95.75000 LogP 1.50410 InChIKey DJGAAPFSPWAYTJ-UHFFFAOYSA-M SMILES Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Na+] Stability Stable. Incompatible with strong oxidizing agents.
Use ofMetamizole sodium is a non-opioid compound with excellent analgesic and antipyretic effects. Metamizole (sodium) is a cyclooxygenase-3 (COX-3) inhibitor[1][2]. Properties Name metamizole sodium Synonym More Synonyms Metamizole sodium Biological Activity Description Metamizole sodium is a non-opioid compound with excellent analgesic and antipyretic effects. Metamizole (sodium) is a cyclooxygenase-3 (COX-3) inhibitor[1][2]. Related Catalog Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX Research Areas >> Neurological Disease References [1]. A Jasiecka, et al. Pharmacological characteristics of metamizole. Pol J Vet Sci. 2014;17(1):207-14. [3]. Manuela Malsy, et al. Effects of metamizole, MAA, and paracetamol on proliferation, apoptosis, and necrosis in the pancreatic cancer cell lines PaTu 8988 t and Panc-1. BMC Pharmacol Toxicol. 2017 Dec 6;18(1):77. [4]. Renata Zajaczkowska, et al. Metamizole relieves pain by influencing cytokine levels in dorsal root ganglia in a rat model of neuropathic pain. Pharmacol Rep. 2020 Oct;72(5):1310-1322. Chemical & Physical Properties Molecular Formula C13H16N3NaO4S Exact Mass 333.075928 PSA 95.75000 LogP 1.50410 InChIKey DJGAAPFSPWAYTJ-UHFFFAOYSA-M Stability Stable. Incompatible with strong oxidizing agents.
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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