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UNC0224

CAT: 0931-T17203-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T17203-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1197196-48-7
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.998
Bioactivity
UNC0224 is a selective inhibitor of G9a with a Ki of 2.6 nM and IC50 of 15 nM. UNC0224 also potently inhibits GLP with assay-dependent IC50 values of 20-58 nM.
Smiles
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Molecular Formula
C26H43N7O2
Molecular Weight
485.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-[3-(Dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CAS Number1197196-48-7
PubChem CID44251522
IUPAC Name7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
Molecular FormulaC26H43N7O2
Molecular Weight485.7
XLogP3.4
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity619
SMILES
CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCCN(C)C
InChI
InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
InChIKey
XIVUGRBSBIXXJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[3-(Dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CAS: 1197196-48-7
CID: 44251522
Formula: C26H43N7O2
MW: 485.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.7
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass485.34782364
Monoisotopic Mass485.34782364
Topological Polar Surface Area69.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5755678UNC0224
TBI5216-1MGUNC0224, G9a histone methyl transferase inhibitor
217435HMTase Inhibitor V, UNC0224 (Histone Lysine Methyltransferase Inhibitor V, UNC0224, 7- (3-Dimethylaminopropoxy) -6-methoxy-2- (4-methyl-1,4-diazepan-1-yl) -N- (1-methylpiperidin-4-yl) quinazolin-4-amine, H2O)

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