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MedKoo Cat#: 563895 | Name: M-525

Description:

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

M-525 is a first-in-class, highly potent, irreversible small-molecule inhibitor of the menin-MLL interaction.

Chemical Structure

M-525
M-525
CAS#2173582-08-4

Theoretical Analysis

MedKoo Cat#: 563895

Name: M-525

CAS#: 2173582-08-4

Chemical Formula: C38H52FN5O6S

Exact Mass: 725.3622

Molecular Weight: 725.92

Elemental Analysis: C, 62.87; H, 7.22; F, 2.62; N, 9.65; O, 13.22; S, 4.42

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 #
No Data
Synonym
M-525; M525; M 525
IUPAC/Chemical Name
Methyl ((1S,2S)-2-((S)-(1-((1-(4-((1-((E)-4-(dimethylamino)but-2-enoyl)azetidin-3-yl)sulfonyl)phenyl)azetidin-3-yl)methyl)piperidin-4-yl)(3-fluorophenyl)(hydroxy)methyl)cyclopentyl)carbamate
InChi Key
FNGKXBSQGMOHOA-KZPMWZLFSA-N
InChi Code
InChI=1S/C38H52FN5O6S/c1-41(2)18-6-11-36(45)44-25-33(26-44)51(48,49)32-14-12-31(13-15-32)43-23-27(24-43)22-42-19-16-28(17-20-42)38(47,29-7-4-8-30(39)21-29)34-9-5-10-35(34)40-37(46)50-3/h4,6-8,11-15,21,27-28,33-35,47H,5,9-10,16-20,22-26H2,1-3H3,(H,40,46)/b11-6+/t34-,35-,38+/m0/s1
SMILES Code
O=C(OC)N[C@@H]1[C@@H]([C@](C2=CC=CC(F)=C2)(C3CCN(CC4CN(C5=CC=C(S(=O)(C6CN(C(/C=C/CN(C)C)=O)C6)=O)C=C5)C4)CC3)O)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 725.92 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, Xu T, Zheng K, Huang L, Stuckey J, Chinnaswamy K, Bernard D, Fernández-Salas E, Liu L, Wang M, McEachern D, Przybranowski S, Foster C, Wang S. Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction. Angew Chem Int Ed Engl. 2018 Feb 5;57(6):1601-1605. doi: 10.1002/anie.201711828. Epub 2018 Jan 15. PubMed PMID: 29284071.