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544478-19-5

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544478-19-5 Structure

544478-19-5 Structure
IdentificationBack Directory
[Name]

MRS 1845
[CAS]

544478-19-5
[Synonyms]

MRS 1845
N-PROPARGYLNITRENDIPENE
MRS-1845;MRS1845;MRS 1845
MRS 1845 >=95% (HPLC), solid
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propynyl)-3,5-pyridinedicarboxylicacidethylmethylester
1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-1-(2-PROPYNYL)-3,5-PYRIDINEDICARBOXYLIC ACID ETHYL, METHYL ESTER
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propyn-1-yl)-, 3-ethyl 5-methyl ester
[Molecular Formula]

C21H22N2O6
[MDL Number]

MFCD06798381
[MOL File]

544478-19-5.mol
[Molecular Weight]

398.41
Chemical PropertiesBack Directory
[Boiling point ]

511.0±50.0 °C(Predicted)
[density ]

1.238±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: 13 mg/mL at 60 °C, soluble
[form ]

solid
[pka]

0.03±0.70(Predicted)
[color ]

yellow
[InChI]

1S/C21H22N2O6/c1-6-11-22-13(3)17(20(24)28-5)19(18(14(22)4)21(25)29-7-2)15-9-8-10-16(12-15)23(26)27/h1,8-10,12,19H,7,11H2,2-5H3
[InChIKey]

BITHABUTZRAUGT-UHFFFAOYSA-N
[SMILES]

CCOC(=O)C1=C(C)N(CC#C)C(C)=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

MRS 1845 acts as a potent SOCE inhibitor that can block Ca2+ capacitative entry resulting in an antiinflammatory effect.
[Biological Activity]

Potent blocker of store-operated Ca 2+ channels; inhibits capacitative Ca 2+ influx in HL-60 cells (IC 50 = 1.7 mM).
Spectrum DetailBack Directory
[Spectrum Detail]

MRS 1845(544478-19-5)MS
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