ChemicalBook--->CAS DataBase List--->217171-01-2

217171-01-2

217171-01-2 Structure

217171-01-2 Structure
IdentificationBack Directory
[Name]

N-[[4-(1,1-Dimethylethyl)phenyl]methyl-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-phenylmethyl)-L-tyrosinamide
[CAS]

217171-01-2
[Synonyms]

PD 173212
N-[[4-(1,1-Dimethylethyl)phenyl]methyl-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-phenylmethyl)-L-tyrosinamide
L-Tyrosinamide, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-(phenylmethyl)-
[Molecular Formula]

C38H53N3O3
[MDL Number]

MFCD12828777
[MOL File]

217171-01-2.mol
[Molecular Weight]

599.85
Chemical PropertiesBack Directory
[Boiling point ]

753.4±60.0 °C(Predicted)
[density ]

1.053±0.06 g/cm3(Predicted)
[storage temp. ]

Store at +4°C
[solubility ]

DMSO: 100 mM; Ethanol: 100 mM
[form ]

Powder
[pka]

13.83±0.46(Predicted)
[color ]

White to off-white
[InChIKey]

GCDHMGROXQUFNR-HEVIKAOCSA-N
[SMILES]

O=C([C@@H](NC([C@@H](N(C)CC1=CC=C(C=C1)C(C)(C)C)CC(C)C)=O)CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC(C)(C)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

PD 173212 is an N-type calcium channel blocker (IC50 = 36 nM). It prevents audiogenic seizures in mice when administered at a dose of 30 mg/kg.
[Uses]

PD173212 is a selective N-type voltage sensitive calcium channel (VSCC) blocker, with an IC50 of 36 nM in IMR-32 assays.
[in vivo]

PD173212 (30 mg/kg, i.v.) shows moderate efficacy in preventing tonic seizures in the audiogenic seizure model[1].

[References]

[1] Hu LY, et al. Structure-activity relationship of N-methyl-N-aralkyl-peptidylamines as novel N-type calcium channel blockers. Bioorg Med Chem Lett. 1999 Aug 2;9(15):2151-6. DOI:10.1016/s0960-894x(99)00359-5
Spectrum DetailBack Directory
[Spectrum Detail]

N-[[4-(1,1-Dimethylethyl)phenyl]methyl-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-phenylmethyl)-L-tyrosinamide(217171-01-2)1HNMR
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