Enoximone structure, CAS 77671-31-9

Enoximone

CAS Number77671-31-9

SynonymsFenoximone; Enoximonum [Latin]; 5-methyl-4-(4-(methylthio)benzoyl)-1H-imidazol-2(3H)-one; 4-Methyl-5-[4-(methylsulfanyl)benzoyl]-1,3-dihydro-2H-imidazol-2-one; Enoximona; MFCD00867130; Perfane; Enoximonum; Enoximona [Spanish]; 1,3-dihydro-4-methyl-5-[4-(methylthio)benzoyl]-2H-imidazol-2-one; Enoximone; Perfan

Molecular FormulaC12H12N2O2S

Molecular Weight248.30

Purity98.00%

Density1.3±0.1 g/cm3

Boiling Point

Melting Point255-258°C

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9010331 Purity: 98.00%
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Quality Control of [ 77671-31-9 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number77671-31-9
Catalog No.2A-9010331
Chinese Name依诺昔酮
SynonymsFenoximone; Enoximonum [Latin]; 5-methyl-4-(4-(methylthio)benzoyl)-1H-imidazol-2(3H)-one; 4-Methyl-5-[4-(methylsulfanyl)benzoyl]-1,3-dihydro-2H-imidazol-2-one; Enoximona; MFCD00867130; Perfane; Enoximonum; Enoximona [Spanish]; 1,3-dihydro-4-methyl-5-[4-(methylthio)benzoyl]-2H-imidazol-2-one; Enoximone; Perfan
Molecular FormulaC12H12N2O2S
Molecular Weight248.30
Purity98.00
Density1.3±0.1 g/cm3
Melting Point255-258°C
Appearancesolid
Water SolubilityDMSO: 28 mg/mL, soluble
Storage ConditionStore at +4°C
PackagingIII
ApplicationEnoximone is an inotropic vasodilator and a selective, orally active phosphodiesterase III (PDE3) inhibitor with an IC50 of 5.9 μM. Enoximone induces vasodilation and increases intracellular cAMP leve
HTC2933290090
PubChem ID24278408
MDL NumberMFCD00867130
SMILESCSc1ccc(cc1)C(=O)C2=C(C)NC(=O)N2
InChI1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)
InChI KeyZJKNESGOIKRXQY-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC41106305
Hazard Symbols6.1(b)
MSDSmsds/10331_1_77671_31_9.pdf
BioactivityEnoximone is an inotropic vasodilating agent and a selective and orally active phosphodiesterase III (PDE3) inhibitor with an IC50 of 5.9 μM. Enoximone induces vasodilatation and increases intracellular levels of cAMP by inhibiting cGMP-inhibited PDE. Enoximone also exhibits PDE4 inhibitory effect with an IC50 of 21.1 μM for myocardial PDE4A. Enoximone has the potential for congestive heart failure research and has bronchodilatory, antiasthma and anti-inflammatory effects[1][2][3]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphodiesterase (PDE) Research Areas >> Inflammation/Immunology Target PDE3/PDE Ⅲ:5.9 μM (IC50) PDE4A:21.1 μM (IC50, myocardial PDE4A) In Vitro In vitro, 10 μM Enoximone-treated bronchoalveolar lavage (BAL) eosinophils induced by IL-33 treatment shows significantly lower CD11b expression when compared with diluent-treated BAL eosinophils[1]. In Vivo Topical Enoximone (25 μg; intratracheal route) abrogates house dust mite (HDM)-induced allergic airway inflammation[1]. The Enoximone-treated (25 μg; for 5 days) HDM-exposed mice shows significant reductions in inflammatory cell numbers including eosinophils, macrophages, neutrophils, ILC2s, and T cells, indicating that Enoximone treatment reduces airway inflammation[1]. References [1]. Jan Beute, et al. A Pathophysiological Role of PDE3 in Allergic Airway Inflammation. JCI Insight. 2018 Jan 25;3(2):e94888. [2]. R C Dage, et al. Pharmacology and Pharmacokinetics of Enoximone. Cardiology. 1990;77 Suppl 3:2-13; discussion 27-33. [3]. M B Vroom, et al. Effect of Phosphodiesterase Inhibitors on Human Arteries in Vitro. Br J Anaesth. 1996 Jan;76(1):122-9. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Melting Point 255-258°C Molecular Formula C12H12N2O2S Molecular Weight 248.301 Exact Mass 248.061951 PSA 91.02000 LogP 3.72 Appearance of Characters solid | light yellow Index of Refraction 1.645 InChIKey ZJKNESGOIKRXQY-UHFFFAOYSA-N SMILES CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1 Storage condition Store at +4°C Water Solubility DMSO: 28 mg/mL, soluble
Use ofEnoximone is an inotropic vasodilating agent and a selective and orally active phosphodiesterase III (PDE3) inhibitor with an IC50 of 5.9 μM. Enoximone induces vasodilatation and increases intracellular levels of cAMP by inhibiting cGMP-inhibited PDE. Enoximone also exhibits PDE4 inhibitory effect with an IC50 of 21.1 μM for myocardial PDE4A. Enoximone has the potential for congestive heart failure research and has bronchodilatory, antiasthma and anti-inflammatory effects[1][2][3]. Properties Articles36 Name 4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one Synonym More Synonyms Enoximone Biological Activity Description Enoximone is an inotropic vasodilating agent and a selective and orally active phosphodiesterase III (PDE3) inhibitor with an IC50 of 5.9 μM. Enoximone induces vasodilatation and increases intracellular levels of cAMP by inhibiting cGMP-inhibited PDE. Enoximone also exhibits PDE4 inhibitory effect with an IC50 of 21.1 μM for myocardial PDE4A. Enoximone has the potential for congestive heart failure research and has bronchodilatory, antiasthma and anti-inflammatory effects[1][2][3]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphodiesterase (PDE) Research Areas >> Inflammation/Immunology PDE4A:21.1 μM (IC50, myocardial PDE4A) In Vitro In vitro, 10 μM Enoximone-treated bronchoalveolar lavage (BAL) eosinophils induced by IL-33 treatment shows significantly lower CD11b expression when compared with diluent-treated BAL eosinophils[1]. In Vivo Topical Enoximone (25 μg; intratracheal route) abrogates house dust mite (HDM)-induced allergic airway inflammation[1]. The Enoximone-treated (25 μg; for 5 days) HDM-exposed mice shows significant reductions in inflammatory cell numbers including eosinophils, macrophages, neutrophils, ILC2s, and T cells, indicating that Enoximone treatment reduces airway inflammation[1]. References [1]. Jan Beute, et al. A Pathophysiological Role of PDE3 in Allergic Airway Inflammation. JCI Insight. 2018 Jan 25;3(2):e94888. [2]. R C Dage, et al. Pharmacology and Pharmacokinetics of Enoximone. Cardiology. 1990;77 Suppl 3:2-13; discussion 27-33. [3]. M B Vroom, et al. Effect of Phosphodiesterase Inhibitors on Human Arteries in Vitro. Br J Anaesth. 1996 Jan;76(1):122-9. Chemical & Physical Properties Molecular Formula C12H12N2O2S Exact Mass 248.061951 PSA 91.02000 Appearance of Characters solid | light yellow Index of Refraction 1.645 InChIKey ZJKNESGOIKRXQY-UHFFFAOYSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Purity: 97.0%
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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