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UNC0631

CAT: 0013-GTR19160658-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160658-01Size:200 mg
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Description
UNC-0631 is a novel G9a inhibitor with excellent potency in a variety of cell lines and excellent separation of functional potency versus cell toxicity. Protein lysine methyltransferase G9a plays key roles in the transcriptional repression of a variety of genes via dimethylation of lysine 9 on histone H3 (H3K9me2) of chromatin as well as dimethylation of nonhistone proteins including tumor suppressor p53.
CAS Number
1320288-19-4
Product Name Alternative
UNC0631, UNC 0631, UNC-0631
Purity
>98% (HPLC)
Solubility
DMSO : 16.67 mg/mL. 26.21 mM; H2O : < 0.1 mg/mL
Smiles
COc1c (OCCCN2CCCCC2) cc2nc (nc (NC3CCN (CC4CCCCC4) CC3) c2c1) N1CCCN (CC1) C (C) C
Molecular Formula
C37H61N7O2
Molecular Weight
635.93
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N- (1- (cyclohexylmethyl) piperidin-4-yl) -2- (4-isopropyl-1,4-diazepan-1-yl) -6-methoxy-7- (3- (piperidin-1-yl) propoxy) quinazolin-4-amine

Chemical Information

N-(1-(Cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

inhibits protein lysine methyltransferase G9a; structure in first source

CAS Number1320288-19-4
PubChem CID53315868
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine
Molecular FormulaC37H61N7O2
Molecular Weight635.9
XLogP7.4
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count46
Formal Charge0
Complexity861
SMILES
CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5CCCCC5)OC)OCCCN6CCCCC6
InChI
InChI=1S/C37H61N7O2/c1-29(2)43-19-10-20-44(24-23-43)37-39-33-27-35(46-25-11-18-41-16-8-5-9-17-41)34(45-3)26-32(33)36(40-37)38-31-14-21-42(22-15-31)28-30-12-6-4-7-13-30/h26-27,29-31H,4-25,28H2,1-3H3,(H,38,39,40)
InChIKey
XFAXSWXKPQWHDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-(Cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine
CAS: 1320288-19-4
CID: 53315868
Formula: C37H61N7O2
MW: 635.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight635.9
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass635.48867421
Monoisotopic Mass635.48867421
Topological Polar Surface Area69.2 Ų
Heavy Atom Count46
Formal Charge0
Complexity861
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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A13195-50UNC0631 50mg
A13195-10UNC0631 10mg
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