WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406711
CAS#: 1035227-44-1 (TFA)
Description: AZ505 is a potent and highly selective inhibitor of SMYD2 with potential anticancer activity. AZ505 is composed of three distinct moieties: benzooxazinone, cyclohexyl, and dichlorophenethyl substituents. The structure of the ternary complex reveals that a single AZ505 molecule is bound in the peptide binding groove of SMYD2.
MedKoo Cat#: 406711
Name: AZ-505 2TFA salt
CAS#: 1035227-44-1 (TFA)
Chemical Formula: C29H38Cl2N4O4
Exact Mass: 576.22701
Molecular Weight: 577.54242
Elemental Analysis: C, 60.31; H, 6.63; Cl, 12.28; N, 9.70; O, 11.08
Synonym: AZ505 2TFA salt ; AZ 505 2TFA salt ; AZ-505 2TFA salt .
IUPAC/Chemical Name: N-cyclohexyl-3-((3,4-dichlorophenethyl)amino)-N-(2-((2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethyl)amino)ethyl)propanamide bis(2,2,2-trifluoroacetate)
InChi Key: LTZSXVZCRINTGV-UHFFFAOYSA-N
InChi Code: InChI=1S/C29H38Cl2N4O4.2C2HF3O2/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28;2*3-2(4,5)1(6)7/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37);2*(H,6,7)
SMILES Code: O=C(N(C1CCCCC1)CCNCCC2=C(C(N3)=C(O)C=C2)OCC3=O)CCNCCC4=CC=C(Cl)C(Cl)=C4.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Appearance: white 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, not in water
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 577.54242 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: Li LX, Fan LX, Zhou JX, Grantham JJ, Calvet JP, Sage J, Li X. Lysine methyltransferase SMYD2 promotes cyst growth in autosomal dominant polycystic kidney disease. J Clin Invest. 2017 Jun 30;127(7):2751-2764. doi: 10.1172/JCI90921. Epub 2017 Jun 12. PubMed PMID: 28604386; PubMed Central PMCID: PMC5490754.
2: de Grass D, Manie S, Amosun SL. Effectiveness of a home-based pulmonary rehabilitation programme in pulmonary function and health related quality of life for patients with pulmonary tuberculosis: a pilot study. Afr Health Sci. 2014 Dec;14(4):866-72. doi: 10.4314/ahs.v14i4.14. PubMed PMID: 25834495; PubMed Central PMCID: PMC4370065.
3: Ferguson AD, Larsen NA, Howard T, Pollard H, Green I, Grande C, Cheung T, Garcia-Arenas R, Cowen S, Wu J, Godin R, Chen H, Keen N. Structural basis of substrate methylation and inhibition of SMYD2. Structure. 2011 Sep 7;19(9):1262-73. doi: 10.1016/j.str.2011.06.011. Epub 2011 Jul 21. PubMed PMID: 21782458.