ChemicalBook--->CAS DataBase List--->179067-99-3

179067-99-3

179067-99-3 Structure

179067-99-3 Structure
IdentificationBack Directory
[Name]

CPCCOET
[CAS]

179067-99-3
[Synonyms]

CPCCOET
CPCCOEt - CAS 179067-99-3 - Calbiochem
7-(HYDROXYIMINO)CYCLOPROPA[B]CHROMEN-1A-CARBOXYLATE ETHYL ESTER
7-HYDROXYIMINOCYCLOPROPAN[B]CHROMEN-1A-CARBOXYLIC ACID ETHYL ESTER
7-Hydroxyiminocyclopropan[b]chromen-1α-carboxylic acid ethyl ester
Benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylic acid, 7,7a-dihydro-7-(hydroxyimino)-, ethyl ester
[Molecular Formula]

C13H13NO4
[MDL Number]

MFCD00947859
[MOL File]

179067-99-3.mol
[Molecular Weight]

247.25
Chemical PropertiesBack Directory
[Boiling point ]

397.8±42.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Store at RT
[solubility ]

DMSO: 42 mg/mL, soluble
[form ]

solid
[pka]

10.70±0.40(Predicted)
[color ]

white
[InChI]

1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-
[InChIKey]

FXCTZFMSAHZQTR-KAMYIIQDSA-N
[SMILES]

O=C(OCC)C(C1)(OC2=C/3C=CC=C2)C1C3=N/O
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

CPCCOEt is a mGluR-1 antagonist.
[Biological Activity]

hmGlu 1 subtype-selective non-competitive antagonist (IC 50 = 6.5 μ M). Has no agonist or antagonist activity at hmGlu 2, 4a, 5a, 7b, 8a or ionotropic receptors at concentrations of up to 100 μ M.
[IC 50]

mGluR1b
[storage]

Room temperature
Spectrum DetailBack Directory
[Spectrum Detail]

CPCCOET(179067-99-3)1HNMR
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