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MedKoo Cat#: 555441 | Name: EML741 HCl

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 HCl
EML741 HCl
CAS#EML741 HCl

Theoretical Analysis

MedKoo Cat#: 555441

Name: EML741 HCl

CAS#: EML741 HCl

Chemical Formula: C31H51Cl2N5O2

Exact Mass: 523.3886

Molecular Weight: 596.68

Elemental Analysis: C, 62.40; H, 8.62; Cl, 11.88; N, 11.74; O, 5.36

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 #
2328074-38-8 (free base) EML741 HCl
Synonym
EML741 HCl; 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 dihydrochloride
InChi Key
QKIINQLHNPSCDZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C31H49N5O2.2ClH/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);2*1H
SMILES Code
COC1=C(OCCCN2CCCC2)C=C3N=C(C4CCCCC4)CN=C(NC5CCN(C(C)C)CC5)C3=C1.[H]Cl.[H]Cl
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 596.68 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
Milite C, Feoli A, Horton JR, Rescigno D, Cipriano A, Pisapia V, Viviano M, Pepe G, Amendola G, Novellino E, Cosconati S, Cheng X, Castellano S, Sbardella G. 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 Mar 14;62(5):2666-2689. doi: 10.1021/acs.jmedchem.8b02008. Epub 2019 Feb 26. PMID: 30753076; PMCID: PMC7430049.