MedKoo Cat#: 571263 | Name: MJE3

Description:

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

MJE3 is a spiroepoxide and cell-permeable, small-molecule inhibitor for phosphoglycerate mutase-1 (PGAM1), a glycolytic enzyme with postulated roles in cancer cell metabolism and proliferation. MJE3 displays antiproliferative effects in human breast cancer cells by inhibiting glycolysis. It is more potent in cells in vivo than in recombinant assays.

Chemical Structure

MJE3
MJE3
CAS#957762-36-6

Theoretical Analysis

MedKoo Cat#: 571263

Name: MJE3

CAS#: 957762-36-6

Chemical Formula: C35H40N2O7

Exact Mass: 600.2836

Molecular Weight: 600.71

Elemental Analysis: C, 69.98; H, 6.71; N, 4.66; O, 18.64

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
MJE3; MJE 3; MJE-3
IUPAC/Chemical Name
2-(4-(((1-(benzyloxy)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)oxy)-1-oxaspiro[2.5]octan-6-yl)propan-2-yl hex-5-ynoate
InChi Key
OUZLIMFGHKWCDE-UHFFFAOYSA-N
InChi Code
InChI=1S/C35H40N2O7/c1-4-5-7-16-31(38)44-34(2,3)26-17-18-35(23-42-35)30(20-26)43-33(40)37-29(32(39)41-22-24-12-8-6-9-13-24)19-25-21-36-28-15-11-10-14-27(25)28/h1,6,8-15,21,26,29-30,36H,5,7,16-20,22-23H2,2-3H3,(H,37,40)
SMILES Code
O=C(OCC1=CC=CC=C1)C(NC(OC2C3(CO3)CCC(C(C)(C)OC(CCCC#C)=O)C2)=O)CC4=CNC5=C4C=CC=C5
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

Preparing Stock Solutions

The following data is based on the product molecular weight 600.71 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: Schwaid AG, Cornella-Taracido I. Causes and Significance of Increased Compound Potency in Cellular or Physiological Contexts. J Med Chem. 2017 Aug 18. doi: 10.1021/acs.jmedchem.7b00762. [Epub ahead of print] PubMed PMID: 28820267. 2: Evans MJ, Morris GM, Wu J, Olson AJ, Sorensen EJ, Cravatt BF. Mechanistic and structural requirements for active site labeling of phosphoglycerate mutase by spiroepoxides. Mol Biosyst. 2007 Jul;3(7):495-506. Epub 2007 May 10. PubMed PMID: 17579775. 3: Evans MJ, Saghatelian A, Sorensen EJ, Cravatt BF. Target discovery in small-molecule cell-based screens by in situ proteome reactivity profiling. Nat Biotechnol. 2005 Oct;23(10):1303-7. Epub 2005 Oct 2. PubMed PMID: 16200062.