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UNC0638

CAT: 1568-C13171-03Size: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C13171-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1255580-76-7
SKU
C13171-10mg
Target
Histone Methyltransferase
Applications
Epigenetics
Smiles
CC (C) N1CCC (CC1) NC2=NC (=NC3=CC (=C (C=C32) OC) OCCCN4CCCC4) C5CCCCC5
Molecular Formula
C30H47N5O2
Additionnal Information
UNC0638 is a potent, selective and cell-penetrant chemical probe for G9a and GLP histone methyltransferase with IC50 of <15 nM and 19 nM, respectively, shows selectivity over a wide range of epigenetic and non-epigenetic targets. UNC0638 has anti-viral activities.
Storage Conditions
2 years -80 in solvent

Chemical Information

2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine

UNC0638 is a member of the class of quinazolines that is quinazoline substituted by cyclohexyl, [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 inhibits G9a and GLP histone methyltransferase activity (IC50 = <15 nM and <20 nM, respectively). It has a role as an antiviral agent and an antineoplastic agent. It is an aromatic ether, a member of pyrrolidines, a member of quinazolines, an aminopiperidine, a secondary amino compound and a tertiary amino compound.

CAS Number1255580-76-7
PubChem CID46224516
IUPAC Name2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Molecular FormulaC30H47N5O2
Molecular Weight509.7
XLogP6.3
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity660
SMILES
CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5
InChI
InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
InChIKey
QOECJCJVIMVJGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CAS: 1255580-76-7
CID: 46224516
Formula: C30H47N5O2
MW: 509.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.7
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass509.37297576
Monoisotopic Mass509.37297576
Topological Polar Surface Area62.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity660
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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