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UNC0646

CAT: 1568-C12386-03Size: 100 mgDry Ice: YesHazardous: No
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CAT#:1568-C12386-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1320288-17-2
SKU
C12386-5mg
Target
Histone Methyltransferase
Applications
Epigenetics
Molecular Formula
C36H59N7O2
Additionnal Information
UNC0646 is a selective histone lysine methyltransferase (HMTase) inhibitor for G9a and GLP with IC50 of 6 nM and 15 nM , respectively, with excellent potency in a variety of cell lines and excellent separation of functional potency versus cell toxicity.
Storage Conditions
2 years -80 in solvent

Chemical Information

Unc-0646

N-(1-cyclohexyl-4-piperidinyl)-6-methoxy-7-[3-(1-piperidinyl)propoxy]-2-(4-propan-2-yl-1,4-diazepan-1-yl)-4-quinazolinamine is a member of quinazolines.

CAS Number1320288-17-2
PubChem CID53315882
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine
Molecular FormulaC36H59N7O2
Molecular Weight621.9
XLogP6.9
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity845
SMILES
CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C5CCCCC5)OC)OCCCN6CCCCC6
InChI
InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
InChIKey
OUKWLRHRXOPODD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unc-0646
CAS: 1320288-17-2
CID: 53315882
Formula: C36H59N7O2
MW: 621.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight621.9
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass621.47302415
Monoisotopic Mass621.47302415
Topological Polar Surface Area69.2 Ų
Heavy Atom Count45
Formal Charge0
Complexity845
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
2606-5UNC0646
A13194-100UNC0646 100mg
A13194-50UNC0646 50mg
A13194-25UNC0646 25mg
A13194-5UNC0646 5mg
A13194-10UNC0646 10mg
A13194-10mM-DUNC0646 10mM * 1mL in DMSO
bs-60184C-01UNC0646 --- G9a/GLP HMTase Inhibitor

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