MedKoo Cat#: 593182 | Name: M-808

Description:

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

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

M-808
M-808
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: 819.09

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 currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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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 Key
BTSUNSRQYLVGIS-ADTYUTHVSA-N
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 819.09 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
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.