ChemicalBook--->CAS DataBase List--->199850-67-4

199850-67-4

199850-67-4 Structure

199850-67-4 Structure
IdentificationBack Directory
[Name]

PD 166793
[CAS]

199850-67-4
[Synonyms]

PD 166793
PD 166793 USP/EP/BP
MMP-2/MMP-3 Inhibitor
N-[(4'-Bromo[1,1'-biphenyl]-4-yl)sulfonyl]-L-valine
L-Valine, N-[(4'-bromo[1,1'-biphenyl]-4-yl)sulfonyl]-
(S)-2-(4'-bromobiphenyl-4-ylsulfonamido)-3-methylbutanoic acid
(2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoicaci
(S)-2-(4'-Bromo-[1,1'-biphenyl]-4-ylsulfonamido)-3-methylbutanoic acid
[Molecular Formula]

C17H18BrNO4S
[MDL Number]

MFCD09038565
[MOL File]

199850-67-4.mol
[Molecular Weight]

412.3
Chemical PropertiesBack Directory
[Melting point ]

192-193℃
[density ]

1.457
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMF: 50 mg/ml; DMSO: 50 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml
[form ]

A crystalline solid
[color ]

White to pink
[InChI]

1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
[InChIKey]

GJOCABIDMCKCEG-INIZCTEOSA-N
[SMILES]

[S](=O)(=O)(N[C@@H](C(C)C)C(=O)O)c1ccc(cc1)c2ccc(cc2)Br
Safety DataBack Directory
[WGK Germany ]

WGK 2
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

PD 166793 is a matrix metalloproteinase inhibitor in the treatment of inflammatory pathological occurrences involving blood pressure and the cardiac system.
[General Description]

A cell-permeable biphenylsulfonylvaline compound that acts as a potent inhibitor against MMP-2, -3, and -13 (IC50 = 47, 12, and 8 nM, respectively) and a weaker inhibitor against AMP deaminase (20% inhibition at 0.1 μM), MMP-1, -7, -9, and -14 (IC50 = 6.1, 7.2, 7.9, and 0.24 μM, respectively). Shown to offer therapeutic benefits in vivo in various animal models of heart failure and diabetes.
[Biological Activity]

Broad spectrum matrix metalloprotease (MMP) inhibitor. Displays high affinity for MMP-2, -3 and -13 (IC 50 values are 4, 7 and 8 nM respectively) and exhibits > 750-fold selectivity over MMP-1, -7 and -9. Attenuates left ventricular remodelling and dysfunction in rat model of heart failure.
[Biochem/physiol Actions]

Cell permeable: yes
[storage]

Desiccate at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

PD 166793(199850-67-4)1HNMR
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