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UNC0642 (Standard)

CAT: 0804-HY-13980R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13980R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UNC0642 (Standard) is the analytical standard of UNC0642. This product is intended for research and analytical applications. UNC0642 is a potent and selective lysine methyltransferases G9a and GLP inhibitor, with an IC50 of <2.5 nM for G9a.
CAS Number
1481677-78-4
UNSPSC
12352100
Target
Histone Methyltransferase; Reference Standards
Related Pathways
Epigenetics; Others
Field of Research
Cancer
Smiles
CC(N1CCC(NC2=C3C=C(OC)C(OCCCN4CCCC4)=CC3=NC(N5CCC(F)(F)CC5)=N2)CC1)C
Molecular Formula
C29H44F2N6O2
Molecular Weight
546.70
References & Citations
[1]Liu F, et al. Discovery of an in vivo chemical probe of the lysine methyltransferases G9a and GLP. J Med Chem. 2013 Nov 14;56 (21) :8931-8942.|[2]Wang L, et al. Targeting EHMT2 reverses EGFR-TKI resistance in NSCLC by epigenetically regulating the PTEN/AKT signaling pathway. Cell Death Dis. 2018 Jan 26;9 (2) :129
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

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
C12536-5mgUNC0642
A15487-100UNC0642 100mg
A15487-50UNC0642 50mg
A15487-10UNC0642 10mg
A15487-5UNC0642 5mg
A15487-200UNC0642 200mg
A15487-1UNC0642 1mg
A15487-25UNC0642 25mg
A15487-2UNC0642 2mg
A15487-10mM-DUNC0642 10mM * 1mL in DMSO

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