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MedKoo CAT#: 407922
CAS#: 903564-48-7
Description: UM-164 is a Potent c-Src/p38 Kinase Inhibitor with In Vivo Activity against Triple-Negative Breast Cancer.
MedKoo Cat#: 407922
Name: UM-164
CAS#: 903564-48-7
Chemical Formula: C30H31F3N8O3S
Exact Mass: 640.2192
Molecular Weight: 640.6862
Elemental Analysis: C, 56.24; H, 4.88; F, 8.90; N, 17.49; O, 7.49; S, 5.00
Synonym: UM-164; UM 164; UM164.
IUPAC/Chemical Name: 2-[[6-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-5-thiazolecarboxamide
InChi Key: ANEBQUSWQAQFQB-UHFFFAOYSA-N
InChi Code: InChI=1S/C30H31F3N8O3S/c1-18-6-7-22(37-27(43)20-4-3-5-21(14-20)30(31,32)33)15-23(18)38-28(44)24-17-34-29(45-24)39-25-16-26(36-19(2)35-25)41-10-8-40(9-11-41)12-13-42/h3-7,14-17,42H,8-13H2,1-2H3,(H,37,43)(H,38,44)(H,34,35,36,39)
SMILES Code: O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(CCO)CC3)=C2)S1)NC4=CC(NC(C5=CC=CC(C(F)(F)F)=C5)=O)=CC=C4C
1: Ndagi U, Mhlongo NN, Soliman ME. Emergence of a Promising Lead Compound in the
Treatment of Triple Negative Breast Cancer: An Insight into Conformational
Features and Ligand Binding Landscape of c-Src Protein with UM-164. Appl Biochem
Biotechnol. 2017 Dec 27. doi: 10.1007/s12010-017-2677-z. [Epub ahead of print]
PubMed PMID: 29282631.
2: Ndagi U, Mhlongo NN, Soliman ME. The impact of Thr91 mutation on c-Src
resistance to UM-164: molecular dynamics study revealed a new opportunity for
drug design. Mol Biosyst. 2017 May 30;13(6):1157-1171. doi: 10.1039/c6mb00848h.
PubMed PMID: 28463369.
3: Gilani RA, Phadke S, Bao LW, Lachacz EJ, Dziubinski ML, Brandvold KR, Steffey
ME, Kwarcinski FE, Graveel CR, Kidwell KM, Merajver SD, Soellner MB. UM-164: A
Potent c-Src/p38 Kinase Inhibitor with In Vivo Activity against Triple-Negative
Breast Cancer. Clin Cancer Res. 2016 Oct 15;22(20):5087-5096. Epub 2016 May 6.
PubMed PMID: 27154914.