| Identification | Back Directory | [Name]
ML 161 | [CAS]
423735-93-7 | [Synonyms]
ML 161
CS-1106
ML161;ML-161
ML161, >=98%
Parmodulin 2
ML161 (Parmodulin 2)
2-Bromo-N-(3-butanamidophenyl)benzamide
2-BroMo-N-(3-butyraMidophenyl)benzaMide
2-BroMo-N-[3-[(1-oxobutyl)aMino]phenyl]benzaMide
Benzamide, 2-bromo-N-[3-[(1-oxobutyl)amino]phenyl]-
ML 161 2-Bromo-N-[3-[(1-oxobutyl)amino]phenyl]benzamide | [EINECS(EC#)]
803-969-5 | [Molecular Formula]
C17H17BrN2O2 | [MDL Number]
MFCD03063772 | [MOL File]
423735-93-7.mol | [Molecular Weight]
361.233 |
| Chemical Properties | Back Directory | [Boiling point ]
465.7±30.0 °C(Predicted) | [density ]
1.441±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: soluble5mg/mL (clear solution) | [form ]
powder | [pka]
12.37±0.70(Predicted) | [color ]
white to beige | [InChI]
1S/C17H17BrN2O2/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22) | [InChIKey]
DFOVLSMXPWPCFH-UHFFFAOYSA-N | [SMILES]
CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 |
| Safety Data | Back Directory | [RIDADR ]
UN 3077 9 / PGIII | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Acute 1
Aquatic Chronic 1 |
| Hazard Information | Back Directory | [Description]
ML-161 is an allosteric, reversible inhibitor of proteinase-activated receptor 1 (PAR1) on platelets, preventing surface expression of P-selectin induced by the peptide SFLLRN with an IC50 value of 0.26 μM. It blocks platelet activation induced by thrombin as well as by SFLLRN but not by PMA , U-46619 , or collagen. | [Uses]
ML 161 is a diaminobenzene derivative that acts as a selective inhibitor of platelet activation at protease-activated receptor 1 (PAR1). ML 161 has also been shown to inhibit thrombin-induced platelet
activation. | [Definition]
ChEBI: 2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide is a member of benzamides. | [in vivo]
Parmodulin 2 (ML161; 5 mg/kg; IV) significantly inhibits platelet thrombus formation, with a 73% inhibition in AUC (area under the curve)[2].
Parmodulin 2 inhibits platelet thrombus formation in vivo, and it does not prolong bleeding time. Parmodulin 2 selectively inhibits platelet aggregation through Par1 and the α2A-adrenergic receptor[2].
| Animal Model: | C57BL/6J wild type mice[2] | | Dosage: | 5 mg/kg (Pharmacokinetic Analysis) | | Administration: | IV | | Result: | Significantly inhibited platelet thrombus formation, with a 73% inhibition in AUC.
|
| [IC 50]
PAR1: .26 μM (IC50) | [References]
[1]. dockendorff, c., et al., discovery of 1,3-diaminobenzenes as selective inhibitors of platelet activation at the par1 receptor. acs med chem lett, 2012. 3(3): p. 232-237.
[2]. verplank, l., et al., chemical genetic analysis of platelet granule secretion-probe 3, in probe reports from the nih molecular libraries program. 2010, national center for biotechnology information (us): bethesda (md). |
|
|