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

MedKoo CAT#: 593182

CAS#: 2377335-74-3

Description: M-808 is a small-molecule inhibitor of the Menin–MLL interaction with strong in vivo anti tumor activity. M-808 effectively inhibits leukemia cell growth at low nanomolar concentrations and is capable of achieving partial tumor regression in an MV4;11 xenograft tumor model in mice at a well-tolerated dose schedule. Determination of the co-crystal structure of M-808 in complex with menin provides a structural basis for their high-affinity, covalent interactions. M-808 represents a promising, covalent menin inhibitor for further optimization and evaluation toward developing a new therapy for the treatment of MLL leukemia.

Chemical Structure

CAS# 2377335-74-3

Theoretical Analysis

MedKoo Cat#: 593182
Name: M-808
CAS#: 2377335-74-3
Chemical Formula: C45H63FN6O5S
Exact Mass: 818.4565
Molecular Weight: 819.0944
Elemental Analysis: C, 65.99; H, 7.75; F, 2.32; N, 10.26; O, 9.77; S, 3.91

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.
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Synonym: M808; M-808; M 808

IUPAC/Chemical Name: Methyl ((1S,2R)-2-((S)-2-(Azetidin-1-yl)-1-(3-fluorophenyl)-1-(1-((1-(4-((1-((E)-4-(piperidin-1-yl)but-2-enoyl)azetidin-3-yl)sulfonyl)-phenyl)azetidin-3-yl)methyl)piperidin-4-yl)ethyl)cyclopentyl)-carbamate


InChi Code: InChI=1S/C45H63FN6O5S/c1-57-44(54)47-42-12-6-11-41(42)45(33-50-23-8-24-50,36-9-5-10-37(46)27-36)35-18-25-49(26-19-35)28-34-29-51(30-34)38-14-16-39(17-15-38)58(55,56)40-31-52(32-40)43(53)13-7-22-48-20-3-2-4-21-48/h5,7,9-10,13-17,27,34-35,40-42H,2-4,6,8,11-12,18-26,28-33H2,1H3,(H,47,54)/b13-7+/t41-,42-,45-/m0/s1

SMILES Code: O=C(OC)N[C@@H]1[C@@H]([C@@](C2CCN(CC3CN(C4=CC=C(S(=O)(C5CN(C(/C=C/CN6CCCCC6)=O)C5)=O)C=C4)C3)CC2)(C7=CC=CC(F)=C7)CN8CCC8)CCC1

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: >3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 819.0944 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

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1: Xu S, Aguilar A, Huang L, Xu T, Zheng K, McEachern D, Przybranowski S, Foster C, Zawacki K, Liu Z, Chinnaswamy K, Stuckey J, Wang S. Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with Strong In Vivo Antitumor Activity. J Med Chem. 2020 Apr 27. doi:10.1021/acs.jmedchem.0c00547. [Epub ahead of print] PubMed PMID: 32338903.