3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide , CAS No.M608624, Inhibitor of beta adrenergic receptor kinase 1;Inhibitor of beta adrenergic receptor kinase 2

Item Number

M608624

Grouped product items
SKU	Size	Availability	Price	Qty
M608624-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,300.90
M608624-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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Synonyms

cmpd101;Takeda compound 101;compound 101

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of beta adrenergic receptor kinase 1;Inhibitor of beta adrenergic receptor kinase 2

Names and Identifiers

IUPAC Name	3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
INCHI	InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)
InChi Key	WFOVEDJTASPCIR-UHFFFAOYSA-N
Canonical SMILES	O=C(c1cccc(c1)NCc1nnc(n1C)c1ccncc1)NCc1ccccc1C(F)(F)F
Isomeric SMILES	CN1C(=NN=C1C2=CC=NC=C2)CNC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4C(F)(F)F
PubChem CID	11677079

PubChem CID

RCSB PDB Ligand

References

1. Thal DM, Yeow RY, Schoenau C, Huber J, Tesmer JJ. (2011) Molecular mechanism of selectivity among G protein-coupled receptor kinase 2 inhibitors.. Mol Pharmacol, 80 (2): (294-303). [PMID:21596927]
2. Lowe JD, Sanderson HS, Cooke AE, Ostovar M, Tsisanova E, Withey SL, Chavkin C, Husbands SM, Kelly E, Henderson G et al.. (2015) Role of G Protein-Coupled Receptor Kinases 2 and 3 in μ-Opioid Receptor Desensitization and Internalization.. Mol Pharmacol, 88 (2): (347-56). [PMID:26013542]

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Basic Description