CAS 1238673-32-9|UNC0321

Introduction：Basic information about CAS 1238673-32-9|UNC0321, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameUNC0321
CAS Number1238673-32-9Molecular Weight515.691
Density1.2±0.1 g/cm3Boiling Point664.7±65.0 °C at 760 mmHg
Molecular FormulaC27H45N7O3Melting Point/
MSDS/Flash Point355.8±34.3 °C

Names

Name7-{2-[2-(Dimethylamino)ethoxy]ethoxy}-6-methoxy-2-(4-methyl-1,4-d iazepan-1-yl)-N-(1-methyl-4-piperidinyl)-4-quinazolinamine
SynonymMore Synonyms

UNC0321 BiologicalActivity

DescriptionUNC0321 is a potent and selective G9a inhibitor with Ki of 63 pM, UNC0321 is the first G9a inhibitor with picomolar potency and the most potent G9a inhibitor to date.IC50 value: 63 pM(Ki); 9 nM (ECSD assay) [1]Target: G9aIt was found that replacing the 5-carbon chain in compound 13 with an ethoxyethyl chain resulted in compound 29{UNC0321} (IC50 = 6 nM (CLOT) and 9 nM (ECSD)), the most potent G9a inhibitor to date. 29 had a Morrison Ki of 63 pM and was about 40-fold more potent than 10 (Morrison Ki = 2.6 nM) and 250-fold more potent than 3a (Morrison Ki = 16 nM) in this G9a assay. UNC0321 potentially useful small molecule tools for the biomedical research community to investigate the biology of G9a and its role in chromatin remodeling as well as PTMs of other proteins.
Related CatalogSignaling Pathways >>Epigenetics >>Histone MethyltransferaseResearch Areas >>Cancer
References

[1]. Liu F, et al. Protein lysine methyltransferase G9a inhibitors: design, synthesis, and structure activity relationships of 2,4-diamino-7-aminoalkoxy-quinazolines. J Med Chem. 2010 Aug 12;53(15):5844-57.

[2]. Liu F, et al. Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines. J Med Chem. 2011 Sep 8;54(17):6139-50.

Chemical & Physical Properties

Density1.2±0.1 g/cm3
Boiling Point664.7±65.0 °C at 760 mmHg
Molecular FormulaC27H45N7O3
Molecular Weight515.691
Flash Point355.8±34.3 °C
Exact Mass515.358398
PSA81.69000
LogP0.36
Vapour Pressure0.0±2.0 mmHg at 25°C
Index of Refraction1.582
InChIKeyAULLUGALUBVBDD-UHFFFAOYSA-N
SMILESCOc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C
Storage condition2-8℃

Synonyms

7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
7-{2-[2-(Dimethylamino)ethoxy]ethoxy}-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methyl-4-piperidinyl)-4-quinazolinamine
UNC0321
TFA salt
CAS 189183-96-8|1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-nitro-2-(2-propen-1-yl)
CAS 1023276-09-6|8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-(4-(1-methylpiperidin-4-yl)phenyla
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