WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 464925
Description: M‑1121 is an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression. M-1121 establishes covalent interactions with Cysteine 329 located in the MLL binding pocket of menin and potently inhibits growth of acute leukemia cell lines carrying MLL translocations with no activity in cell lines with wild-type MLL. Consistent with the mechanism of action, M-1121 drives dose-dependent down-regulation of HOXA9 and MEIS1 gene expression in the MLL-rearranged MV4;11 leukemia cell line. M-1121 is orally bioavailable and shows potent antitumor activity in vivo with tumor regressions observed at tolerated doses in the MV4;11 subcutaneous and disseminated models of MLL-rearranged leukemia.
MedKoo Cat#: 464925
Chemical Formula: C42H57FN6O6S
Exact Mass: 792.4044
Molecular Weight: 793.0124
Elemental Analysis: C, 63.61; H, 7.25; F, 2.40; N, 10.60; O, 12.10; S, 4.04
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Synonym: M‑1121; M1121; M 1121;
IUPAC/Chemical Name: methyl ((1S,2R)-2-((S)-1-(1-((1-(4-(((1S,4S)-5-acryloyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)sulfonyl)phenyl)-3-methoxyazetidin-3-yl)methyl)piperidin-4-yl)-2-(azetidin-1-yl)-1-(3-fluorophenyl)ethyl)cyclopentyl)carbamate
InChi Key: HFHVSSGMYSWPIR-SZDLQPMWSA-N
InChi Code: InChI=1S/C42H57FN6O6S/c1-4-39(50)48-24-35-23-34(48)25-49(35)56(52,53)36-14-12-33(13-15-36)47-27-41(28-47,55-3)26-46-20-16-30(17-21-46)42(29-45-18-7-19-45,31-8-5-9-32(43)22-31)37-10-6-11-38(37)44-40(51)54-2/h4-5,8-9,12-15,22,30,34-35,37-38H,1,6-7,10-11,16-21,23-29H2,2-3H3,(H,44,51)/t34-,35-,37-,38-,42-/m0/s1
SMILES Code: O=C(OC)N[C@@H]1[C@@H]([C@](C2=CC=CC(F)=C2)(C3CCN(CC4(OC)CN(C5=CC=C(S(=O)(N6[C@](C7)([H])CN(C(C=C)=O)[C@]7([H])C6)=O)C=C5)C4)CC3)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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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
The following data is based on the product molecular weight 793.0124 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.
|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: Zhang M, Aguilar A, Xu S, Huang L, Chinnaswamy K, Sleger T, Wang B, Gross S, Nicolay BN, Ronseaux S, Harvey K, Wang Y, McEachern D, Kirchhoff PD, Liu Z, Stuckey J, Tron AE, Liu T, Wang S. Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression. J Med Chem. 2021 Jul 1. doi: 10.1021/acs.jmedchem.1c00789. Epub ahead of print. PMID: 34196551.