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120223-04-3 | 2H-1,3,4-Thiadiazin-2-one, 5-[1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydro-6-quinolinyl]-3,6-dihydro-6-methyl-
CAS No: 120223-04-3 Catalog No: AG001MDE MDL No:
Product Description
Catalog Number:
AG001MDE
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 5-[1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydro-6-quinolinyl]-3,6-dihydro-6-methyl-
CAS Number:
120223-04-3
Molecular Formula:
C22H23N3O4S
Molecular Weight:
425.5007
IUPAC Name:
5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)
InChI Key:
IZLRMTJLQCLMKF-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)N1CCCc2c1ccc(c2)C1=NNC(=O)SC1C
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
425.503g/mol
Monoisotopic Mass:
425.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| A rat toxicogenomics study with the calcium sensitizer EMD82571 reveals a pleiotropic cause of teratogenicity. | Reproductive toxicology (Elmsford, N.Y.) 20140801 |
| Contractile abnormalities and altered drug response in engineered heart tissue from Mybpc3-targeted knock-in mice. | Journal of molecular and cellular cardiology 20131001 |
| Ca2+ sensitizers: An emerging class of agents for counterbalancing weakness in skeletal muscle diseases? | Neuromuscular disorders : NMD 20100201 |
| Cardiac Ca2+ signaling and Ca2+ sensitizers. | Circulation journal : official journal of the Japanese Circulation Society 20081201 |
| Cogrinding enhances the oral bioavailability of EMD 57033, a poorly water soluble drug, in dogs. | European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V 20080201 |
| AVE0118, blocker of the transient outward current (I(to)) and ultrarapid delayed rectifier current (I(Kur)), fully restores atrial contractility after cardioversion of atrial fibrillation in the goat. | Circulation 20060919 |
| Differential effect of troponin T mutations on the inotropic responsiveness of mouse hearts--role of myofilament Ca2+ sensitivity increase. | The Journal of physiology 20060815 |
| Use of the Ca-shortening curve to estimate the myofilament responsiveness to Ca2+ in tetanized rat ventricular myocytes. | The journal of physiological sciences : JPS 20060601 |
| Effects of troponin C isoform on the action of the cardiotonic agent EMD 57033. | The Biochemical journal 20050615 |
| [If the myofilaments become sensitive: Ca2+-sensitizer for the therapy of heart insufficiency]. | Deutsche medizinische Wochenschrift (1946) 20050415 |
| Effects of Ca2+ -sensitizers in permeabilized cardiac myocytes from donor and end-stage failing human hearts. | Journal of muscle research and cell motility 20040101 |
| Altered signaling surrounding the C-lobe of cardiac troponin C in myofilaments containing an alpha-tropomyosin mutation linked to familial hypertrophic cardiomyopathy. | Journal of molecular and cellular cardiology 20031001 |
| Secophalloidin as a novel activator of skinned cardiac muscle. | Biochemical and biophysical research communications 20030214 |
| Effects of the Ca2+ sensitizers EMD 57033 and CGP 48506 on myocardial contractility and Ca2+ transients in human ventricular and atrial myocardium. | Zeitschrift fur Kardiologie 20020401 |
| Use of tetanus to investigate myofibrillar responsiveness to Ca(2+) in isolated mouse ventricular myocytes. | The Japanese journal of physiology 20020201 |
| Calcium sensitizer EMD 57033, but not the beta1-adrenoreceptor agonist dobutamine, increases mechanical efficiency in stunned myocardium. | Journal of cardiovascular pharmacology 20020101 |
| Post-beta-receptor impairment in the regulation of myofibrillar Ca2+ sensitivity in tachypacing-induced canine failing heart. | Journal of cardiovascular pharmacology 20020101 |
| Beneficial effects of the Ca2+ sensitizer EMD 57033 in exercising pigs with infarction-induced chronic left ventricular dysfunction. | British journal of pharmacology 20011001 |
| Effects of Ca2+ sensitizers on contraction, [Ca2+]i transient and myofilament Ca2+ sensitivity in diabetic rat myocardium: potential usefulness as inotropic agents. | The Journal of pharmacology and experimental therapeutics 20010801 |
| Structure of the C-domain of human cardiac troponin C in complex with the Ca2+ sensitizing drug EMD 57033. | The Journal of biological chemistry 20010706 |
| Reversal of cardiac and renal fibrosis by pirfenidone and spironolactone in streptozotocin-diabetic rats. | British journal of pharmacology 20010701 |
| The effects of the inotropic agent EMD 57033 on activation and relaxation kinetics in frog skinned skeletal muscle. | Pflugers Archiv : European journal of physiology 20010501 |
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