MM-401| CAS 1442106-10-6|DC Chemicals

Cas No.:	1442106-10-6
Chemical Name:	N-((3R,6S,9S,12R)-6-ethyl-9-(3-guanidinopropyl)-12-methyl-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclohexadecan-12-yl)isobutyramide
Synonyms:	MM 401;MM401
SMILES:	CC(C(=O)N[C@@]1(CCCCNC(=O)[C@@H](C2C=CC=CC=2)NC(=O)[C@H](CC)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C)C
Formula:	C₂₉H₄₆N₈O₅
M.Wt:	586.726
Purity:	>98%
Sotrage:	2 years -20°C Powder, 2 weeks 4°C in DMSO, 6 months -80°C in DMSO
Publication:	1: Zhang H, Dou Y. Reprogram Murine Epiblast Stem Cells by Epigenetic Inhibitors. Bio Protoc. 2017 Mar 5;7(5). pii: e2168. doi: 10.21769/BioProtoc.2168. PubMed PMID: 29082293; PubMed Central PMCID: PMC5659616. 2: Karatas H, Li Y, Liu L, Ji J, Lee S, Chen Y, Yang J, Huang L, Bernard D, Xu J, Townsend EC, Cao F, Ran X, Li X, Wen B, Sun D, Stuckey JA, Lei M, Dou Y, Wang S. Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J Med Chem. 2017 Jun 22;60(12):4818-4839. doi: 10.1021/acs.jmedchem.6b01796. Epub 2017 Jun 12. PubMed PMID: 28603984. 3: Vedadi M, Blazer L, Eram MS, Barsyte-Lovejoy D, Arrowsmith CH, Hajian T. Targeting human SET1/MLL family of proteins. Protein Sci. 2017 Apr;26(4):662-676. doi: 10.1002/pro.3129. Epub 2017 Mar 6. Review. PubMed PMID: 28160335; PubMed Central PMCID: PMC5368065. 4: Muller S, Nayak A. Inhibition of MLL1 histone methyltransferase brings the developmental clock back to naïve pluripotency. Stem Cell Investig. 2016 Oct 20;3:58. eCollection 2016. PubMed PMID: 27868040; PubMed Central PMCID: PMC5104571. 5: Zhang H, Gayen S, Xiong J, Zhou B, Shanmugam AK, Sun Y, Karatas H, Liu L, Rao RC, Wang S, Nesvizhskii AI, Kalantry S, Dou Y. MLL1 Inhibition Reprograms Epiblast Stem Cells to Naive Pluripotency. Cell Stem Cell. 2016 Apr 7;18(4):481-94. doi: 10.1016/j.stem.2016.02.004. Epub 2016 Mar 17. PubMed PMID: 26996599; PubMed Central PMCID: PMC4826731. 6: Inhibition of MLL1 methyltransferase activity suppresses MLL cell growth. Cancer Discov. 2014 Mar;4(3):OF21. doi: 10.1158/2159-8290.CD-RW2014-010. Epub 2014 Jan 16. PubMed PMID: 24596216. 7: Cao F, Townsend EC, Karatas H, Xu J, Li L, Lee S, Liu L, Chen Y, Ouillette P, Zhu J, Hess JL, Atadja P, Lei M, Qin ZS, Malek S, Wang S, Dou Y. Targeting MLL1 H3K4 methyltransferase activity in mixed-lineage leukemia. Mol Cell. 2014 Jan 23;53(2):247-61. doi: 10.1016/j.molcel.2013.12.001. Epub 2014 Jan 2. PubMed PMID: 24389101; PubMed Central PMCID: PMC3965208.

Description:

A potent inhibitor of MLL1/WDR5 protein-protein interaction with IC50 of 0.9 nM.

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