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71145-03-4

Methyl 2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-5-carboxylate

CAS: 71145-03-4

Molecular Formula: C16H15F3N2O4

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71145-03-4 - Names and Identifiers

Name Methyl 2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-5-carboxylate
Synonyms Methyl 2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-5-carboxylate
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
1,4-DIHYDRO-2,6-DIMETHYL-5-NITRO-4-(2-[TRIFLUOROMETHYL]PHENYL)PYRIDINE-3-CARBOXYLIC ACID METHYL ESTER
1,4-DIHYDRO-2,6-DIMETHYL-5-NITRO-4-[2'-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDINECARBOXYLIC ACID METHYL ESTER
1,4-DIHYDRO-2,6-DIMETHYL-5-NITRO-4-[2-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDINECARBOXYLIC ACID, METHYL ESTER
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-diMethyl-5-nitro-4-[2-(trifluoroMethyl)phenyl]-, Methyl ester
CAS 71145-03-4
InChI InChI=1/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,12-13H,1-3H3/t12?,13-/m1/s1

71145-03-4 - Physico-chemical Properties

Molecular FormulaC16H15F3N2O4
Molar Mass356.3
Density1.3548 (estimate)
Melting Point166 °C
Boling Point429.2±45.0 °C(Predicted)
Flash Point198.3°C
Water SolubilitySoluble in DMSO at 20mg/ml. Also soluble in methanol or ethanol at 60mg/ml. Insoluble in water
Solubility Soluble in DMSO
Vapor Presure9.53E-07mmHg at 25°C
AppearanceYellow solid.
ColorYellow
pKa-3.43±0.70(Predicted)
Storage Condition2-8°C
StabilityStable. Incompatible with strong oxidizing agents.
Refractive Index1.545
UseBay K 8644 is a potent, selective activator of L-type Ca2 channel with IC50 of 17.3 nM.
In vitro studyBay K 8644, as an agonist of L-type calcium ions, increases the resting tension of mesenteric arteries taken from rats.
In vivo studyBay K 8644 can induce the small contraction of the aorta of 5 weeks old, 3 months old, 1 year old, 1.5 age wistar-kyoto rats, which is not affected by the age of the rats.

71145-03-4 - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
Risk Codes36/38 - Irritating to eyes and skin.
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36 - Wear suitable protective clothing.
WGK Germany3
RTECSUS5655000

71145-03-4 - Preparation solution concentration reference

 1mg5mg10mg
1 mM2.807 ml14.033 ml28.067 ml
5 mM0.561 ml2.807 ml5.613 ml
10 mM0.281 ml1.403 ml2.807 ml
5 mM0.056 ml0.281 ml0.561 ml
Last Update:2024-01-02 23:10:35

71145-03-4 - Cell Experiment

1: Lai ZR, Chou CT, Liu SI, Liang WZ, Huang JK, Jan CR. Effect of BayK 8644 on [Ca²⁺]i and viability in PC3 human prostate cancer cells. Chin J Physiol. 2013 Dec 31;56(6):318-25. doi: 10.4077/CJP.2013.BAB161. Erratum in: Chin J Physiol. 2014 Feb 28;57(1):60. PubMed PMID: 24495178.2: Marom M, Hagalili Y, Sebag A, Tzvier L, Atlas D. Conformational changes induced in voltage-gated calcium channel Cav1.2 by BayK 8644 or FPL64176 modify the kinetics of secretion independently of Ca2+ influx. J Biol Chem. 2010 Mar 5;285(10):6996-7005. doi: 10.1074/jbc.M109.059865. PubMed PMID: 20054004; PubMed Central PMCID: PMC2844149.3: Turner CP, Debenedetto D, Liu C. NMDAR blockade-induced neonatal brain injury: Reversal by the calcium channel agonist BayK 8644. Neurosci Lett. 2009 Feb 6;450(3):292-5. doi: 10.1016/j.neulet.2008.12.002. PubMed PMID: 19070650; PubMed Central PMCID: PMC2699449.
Last Update:2023-08-16 21:32:38

71145-03-4 - Reference Information

introduction BAY K8644 is an L-type Ca2 channel activator with positive inotropic and vasoconstrictive effects, and can be used as an active L-type calcium channel agonist.
biological activity Bay K 8644 is a highly selective l-type calcium channel agonist with EC50 of 17.3 nM.
target TargetValue L-type calcium channel (in the isolated field-stimulated vas deferens of the mouse) 17.3nM(EC50)
TargetValue
L-type calcium channel (in the isolated field-stimulated vas deferens of the mouse) 17.3nM(EC50)
in vitro study Bay K 8644, as an agonist of l-type calcium ions, improves the resting tension of mesenteric arteries taken from rats.
in vivo study Bay K 8644 can induce small contraction of aorta in rats wistar-kyoto 5 weeks of age, 3 months of age, 1 year and 1.5, which is not affected by rat age.
Last Update:2024-04-09 02:00:02
71145-03-4
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