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UNC0642

CAT: 0957-S7230-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S7230-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1481677-78-4
Target
Histone Methyltransferase
Applications
Epigenetics
Smiles
CC (C) N1CCC (CC1) NC2=NC (=NC3=CC (=C (C=C32) OC) OCCCN4CCCC4) N5CCC (CC5) (F) F
Molecular Formula
C29H44F2N6O2
Additionnal Information
UNC0642 is a potent, selective inhibitor of histone methyltransferases G9a/GLP with IC50s less than 2.5 nM for G9a and GLP and shows more than 300-fold selective for G9a and GLP over a broad range of kinases, GPCRs, transporters, and ion channels.
Storage Conditions
2 years -80 in solvent

Chemical Information

Unc-0642

UNC0642 is a member of the class of quinazolines that is quinazoline substituted by 4,4-difluoropiperidin-1-yl, [1-(propan-2-yl)piperidin-4-yl]amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It is a potent inhibitor of histone methyltransferases G9a and GLP (IC50 = <2.5 nM). It has a role as an antineoplastic agent and an apoptosis inducer. It is an aromatic ether, an organofluorine compound, a member of pyrrolidines, a member of quinazolines, an aminopiperidine, a secondary amino compound and a tertiary amino compound.

CAS Number1481677-78-4
PubChem CID53315878
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Molecular FormulaC29H44F2N6O2
Molecular Weight546.7
XLogP5.7
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity739
SMILES
CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F
InChI
InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)
InChIKey
RNAMYOYQYRYFQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unc-0642
CAS: 1481677-78-4
CID: 53315878
Formula: C29H44F2N6O2
MW: 546.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.7
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass546.34938099
Monoisotopic Mass546.34938099
Topological Polar Surface Area66 Ų
Heavy Atom Count39
Formal Charge0
Complexity739
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
HY-13980-01UNC0642
A15487-100UNC0642 100mg
A15487-50UNC0642 50mg
A15487-10UNC0642 10mg
A15487-5UNC0642 5mg
A15487-200UNC0642 200mg
A15487-1UNC0642 1mg
HY-13980R-01UNC0642 (Standard)
A15487-25UNC0642 25mg
A15487-2UNC0642 2mg

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