MedKoo Cat#: 462422 | Name: EML741 free base

Description:

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

EML741 is a potent GLP/G9a inhibitor with high in vitro and cellular potency (IC50 = 23 nM). EML741 displayed improved inhibitory potency against DNA methyltransferase 1, improved selectivity against other methyltransferases, low cell toxicity, and improved apparent permeability values in both parallel artificial membrane permeability assay (PAMPA) and blood−brain barrier-specific PAMPA.

Chemical Structure

EML741 free base
EML741 free base
CAS#2328074-38-8 (free base)

Theoretical Analysis

MedKoo Cat#: 462422

Name: EML741 free base

CAS#: 2328074-38-8 (free base)

Chemical Formula: C31H49N5O2

Exact Mass: 523.3886

Molecular Weight: 523.77

Elemental Analysis: C, 71.09; H, 9.43; N, 13.37; O, 6.11

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.
Bulk Inquiry
Synonym
EML741; EML 741; EML-741
IUPAC/Chemical Name
2-cyclohexyl-N-(1-isopropylpiperidin-4-yl)-7-methoxy-8-(3-(pyrrolidin-1-yl)propoxy)-3H-benzo[e][1,4]diazepin-5-amine
InChi Key
CEYUGMZUIYBLTQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C31H49N5O2/c1-23(2)36-17-12-25(13-18-36)33-31-26-20-29(37-3)30(38-19-9-16-35-14-7-8-15-35)21-27(26)34-28(22-32-31)24-10-5-4-6-11-24/h20-21,23-25H,4-19,22H2,1-3H3,(H,32,33)
SMILES Code
COC1=C(OCCCN2CCCC2)C=C3N=C(C4CCCCC4)CN=C(NC5CCN(C(C)C)CC5)C3=C1
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 523.77 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: Milite C, Feoli A, Horton JR, et al. Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure. J Med Chem. 2019;62(5):2666-2689. doi:10.1021/acs.jmedchem.8b02008