WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 407944
CAS#: 1612782-86-1
Description: UNC2541 is a potent and MerTK-specific inhibitor that exhibits sub-micromolar inhibitory activity in the cell-based 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. UNC2541 showed IC50 MerTH=4.4 nM; IC50 AXL = 120 nM; IC50 TYRO3 = 220 nM; IC50 FLT3 = 320 nM.
MedKoo Cat#: 407944
Name: UNC2541
CAS#: 1612782-86-1
Chemical Formula: C24H34FN7O2
Exact Mass: 471.2758
Molecular Weight: 471.5814
Elemental Analysis: C, 61.13; H, 7.27; F, 4.03; N, 20.79; O, 6.79
Synonym: UNC2541; UNC-2541; UNC 2541;
IUPAC/Chemical Name: (S)-7-amino-N-(4-fluorobenzyl)-8-oxo-2,9,16-triaza-1(2,4)-pyrimidinacyclohexadecaphane-15-carboxamide
InChi Key: ONIHBIZGUJZDHG-FQEVSTJZSA-N
InChi Code: InChI=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
SMILES Code: O=C(NCCCCCCN1)[C@@H](N)CCCCNC2=NC1=NC=C2C(NCC3=CC=C(F)C=C3)=O
1: McIver AL, Zhang W, Liu Q, Jiang X, Stashko MA, Nichols J, Miley MJ, Norris-Drouin J, Machius M, DeRyckere D, Wood E, Graham DK, Earp HS, Kireev D, Frye SV, Wang X. Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors. ChemMedChem. 2017 Feb 3;12(3):207-213. doi: 10.1002/cmdc.20160058