WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 407482
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.
MedKoo Cat#: 407482
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
This product is not in stock, which may be available by custom synthesis.
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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
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
The following data is based on the product molecular weight 577.547 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.
|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: 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.