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UNC2541

Catalog No.: 6111901
Cas No.: 1612782-86-1
Purity : 98% Min.
6111901 - UNC2541 | CAS 1612782-86-1

Catalog number : 6111901

CAS number : 1612782-86-1

Molecular Formula : C24H34FN7O2

Molecular Weight : 471.57

Iupac Chemical Name : (S)-7-amino-N-(4-fluorobenzyl)-8-oxo-2,9,16-triaza-1(2,4)-pyrimidinacyclohexadecaphane-15-carboxamide

Smile : O=C([C@H](CCCCN1)N)NCCCCCCNC2=NC=C(C(NCC3=CC=C(C=C3)F)=O)C1=N2

InChiKey : ONIHBIZGUJZDHG-FQEVSTJZSA-N

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SynonymsUNC2541; UNC-2541; UNC 2541;
Molecular FormulaC24H34FN7O2
Molecular Weight471.57
Appearanceoff-white solid 
Purity98% Min.
SolubilitySoluble in DMSO, not in water
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Shipping ConditionShipped under ambient temperature 
SmileO=C([C@H](CCCCN1)N)NCCCCCCNC2=NC=C(C(NCC3=CC=C(C=C3)F)=O)C1=N2
InChiKeyONIHBIZGUJZDHG-FQEVSTJZSA-N
InChiInChI=1S/C24H34FN7O2/c25-18-10-8-17(9-11-18)15-30-22(33)19-16-31-24-29-14-5-2-1-4-13-28-23(34)20(26)7-3-6-12-27-21(19)32-24/h8-11,16,20H,1-7,12-15,26H2,(H,28,34)(H,30,33)(H2,27,29,31,32)/t20-/m0/s1
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UNC2541 is a potent and MerTK-specific inhibitor and exhibits sub-micro molar inhibitory activity in the cell-based ELISA assay through SAR studies. In addition, an X-ray structure of MerTK protein in complex with UNC2541 was resolved to show that these macro-cycles bind in the MerTK ATP pocket.

Graphical abstract


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A structure-based drug design approach led to macrocyclic pyrimidines as potent Mer tyrosine kinase (MerTK)-specific inhibitors. Through SAR studies, analogue 11 (UNC2541) was identified as a key compound and exhibits sub-micro molar inhibitory activity in the cell-based enzyme-linked immunosorbent assay (ELISA). In addition, an X-ray structure of MerTK protein in complex with 11 was resolved to show that these macrocycles bind in the MerTK ATP pocket.




11
UNC2541A
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