MM-401

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 562181

CAS#: 1442106-10-6

Description: MM-401 is a specific inhibitor of histone H3K4 methyltransferase MLL1 activity. It acts by reprograming mouse epiblast stem cells (EpiSCs) to naive pluripotency.


Chemical Structure

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MM-401
CAS# 1442106-10-6

Theoretical Analysis

MedKoo Cat#: 562181
Name: MM-401
CAS#: 1442106-10-6
Chemical Formula: C29H46N8O5
Exact Mass: 586.36
Molecular Weight: 586.730
Elemental Analysis: C, 59.37; H, 7.90; N, 19.10; O, 13.63

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: MM-401; MM 401; MM401;

IUPAC/Chemical Name: N-[6(S)-Ethyl-9(S)-(3-guanidino-propyl)-12(R)-methyl-2,5,8,11-tetraoxo-3(R)-phenyl-1,4,7,10tetraaza-cyclohexadec-12-yl]-isobutyramide

InChi Key: SILRGLDFBXVGOQ-ZMROOPMESA-N

InChi Code: InChI=1S/C29H46N8O5/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33)/t20-,21-,22+,29+/m0/s1

SMILES Code: CC(C)C(N[C@@]1(C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC)C(N[C@H](C2=CC=CC=C2)C(NCCCC1)=O)=O)=O)=O)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 586.73 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.