A-893

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

MedKoo CAT#: 407482

CAS#: 1868232-32-9

Description: A-893 is a potent and selective SMYD2 inhibitor (IC50: 2.8 nM). A cocrystal structure reveals the origin of enhanced potency, and effective suppression of p53K370 methylation is observed in a lung carcinoma (A549) cell line.


Price and Availability

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A-893 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 407482
Name: A-893
CAS#: 1868232-32-9
Chemical Formula: C29H38Cl2N4O4
Exact Mass: 576.227
Molecular Weight: 577.547
Elemental Analysis: C, 60.31; H, 6.63; Cl, 12.28; N, 9.70; O, 11.08


Synonym: A-893; A 893; A893.

IUPAC/Chemical Name: (R)-N-cyclohexyl-3-((3,4-dichlorophenethyl)amino)-N-(2-((2-hydroxy-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethyl)amino)ethyl)propanamide

InChi Key: WVRBXBROEPXZHF-SANMLTNESA-N

InChi Code: InChI=1S/C29H38Cl2N4O4/c30-23-10-9-20(17-24(23)31)11-13-32-14-12-28(38)35(21-5-2-1-3-6-21)16-15-33-18-26(36)22-7-4-8-25-29(22)39-19-27(37)34-25/h4,7-10,17,21,26,32-33,36H,1-3,5-6,11-16,18-19H2,(H,34,37)/t26-/m0/s1

SMILES Code: O=C(N1)COC(C1=CC=C2)=C2[C@@H](O)CNCCN(C3CCCCC3)C(CCNCCC4=CC(Cl)=C(Cl)C=C4)=O


Technical Data

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).

Harmonized System Code:
293490


References

1: Sweis RF, Wang Z, Algire M, Arrowsmith CH, Brown PJ, Chiang GG, Guo J, Jakob
CG, Kennedy S, Li F, Maag D, Shaw B, Soni NB, Vedadi M, Pappano WN. Discovery of
A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase
SMYD2. ACS Med Chem Lett. 2015 Apr 29;6(6):695-700. doi:
10.1021/acsmedchemlett.5b00124. eCollection 2015 Jun 11. PubMed PMID: 26101576;
PubMed Central PMCID: PMC4468393.