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W4022

CAT: 0013-GTR19236282-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236282-01Size:25 mg
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Description
W4022 (compound 16) is a potent dual G9a/NSD2 methyltransferase inhibitor with IC50 values of 0.241 μM and 0.017 μM, respectively. It demonstrates robust anticancer activity in vitro by inhibiting proliferation, colony formation, and metastasis, and shows significant antitumor efficacy in PANC-1 xenograft models.
CAS Number
2761292-51-5
Field of Research
Epigenetics & Chromatin
Smiles
N#CC=1N=C2C=C (OCCCN3CCCC3) C (OC) =CC2=C (N1) NC4CCN (CC4) C (C) C
Molecular Formula
C25H36N6O2
Molecular Weight
452.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile
CAS Number2761292-51-5
PubChem CID163713000
IUPAC Name6-methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile
Molecular FormulaC25H36N6O2
Molecular Weight452.6
XLogP4.1
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity640
SMILES
CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C#N
InChI
InChI=1S/C25H36N6O2/c1-18(2)31-12-7-19(8-13-31)27-25-20-15-22(32-3)23(16-21(20)28-24(17-26)29-25)33-14-6-11-30-9-4-5-10-30/h15-16,18-19H,4-14H2,1-3H3,(H,27,28,29)
InChIKey
KKXRBRPMTQSNTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile
CAS: 2761292-51-5
CID: 163713000
Formula: C25H36N6O2
MW: 452.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.6
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass452.28997441
Monoisotopic Mass452.28997441
Topological Polar Surface Area86.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity640
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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CatalogName
T88759-01W4022

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