3-deazaneplanocin A (DZNeP) HCl

Category	Orthopoxvirus
CAS	120964-45-6
Description	3-deazaneplanocin A (DZNeP)HCl, an analog of adenosine, is a competitive inhibitor of S-adenosylhomocysteine hydrolase with Ki of 50 pM.

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Synonyms	NSC 617989 HCl; NSC617989 HCl; NSC-617989 HCl; 3-deazaneplanocin A HCl; 3-deazaneplanocin A hydrochloride; DZNep
IUPAC Name	(1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride
Molecular Weight	298.72
Molecular Formula	C12H15ClN4O3
Canonical SMILES	C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.Cl
InChI	InChI=1S/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H/t8-,10-,11+;/m1./s1
InChIKey	UNSKMHKAFPRFTI-FDKLLANESA-N
Melting Point	>185°C(dec.)
Purity	>98%
Solubility	soluble in DMSO, Methanol
Appearance	White to Light Beige Solid
Storage	Store at -20°C, Under inert atmosphere
Complexity	378
Exact Mass	298.083282
In Vitro	3-Deazaneplanocin A (DZNep) hydrochloride is a potent histone methyltransferase EZH2 inhibitor. Treatment of OCI-AML3 cells with 3-Deazaneplanocin A (1.0 μM) results in a significant increase in accumulation of cells in the G0/G1 phase with a concomitant decrease in the number of cells in S phase and G2/M phases of the cell cycle.
In Vivo	In a Metabolic and histological model of high-fat/high-fructose diet feeding (HFA/HFR-D) rats that Metabolically and histically mimic human NAFLD (non-alcoholic fatty liver disease), DZNep has a potent anti-inflammatory and anti-fibrotic effect by inhibiting ENZ2.
PSA	117.42000
Target	Histone Methyltransferase; Orthopoxvirus