W4022

CAT: 0931-T88759-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T88759-01Size:25 mg

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CAS Number

2761292-51-5

Target

Histone Methyltransferase

Related Pathways

Chromatin/Epigenetic

Bioactivity

W4022 (compound 16) is an efficient dual inhibitor of the lysine methyltransferases G9a/NSD2, with IC50 values of 0.241 μM for G9a and 0.017 μM for NSD2. It exhibits potent antiproliferative properties, including the ability to suppress colony formation, induce apoptosis, and inhibit metastasis of cancer cells. W4022 effectively curtails the catalytic activities of G9a and NSD2 within cells and demonstrates significant antitumor efficacy in PANC-1 xenograft models.

Smiles

N#CC=1N=C2C=C(OCCCN3CCCC3)C(OC)=CC2=C(N1)NC4CCN(CC4)C(C)C

Molecular Formula

C25H36N6O2

Molecular Weight

452.59

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

6-Methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile

CAS Number	2761292-51-5
PubChem CID	163713000
IUPAC Name	6-methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile
Molecular Formula	C25H36N6O2
Molecular Weight	452.6
XLogP	4.1
Topological Polar Surface Area	86.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	33
Formal Charge	0
Complexity	640

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

CAS: 2761292-51-5

CID: 163713000

Formula: C25H36N6O2

MW: 452.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	452.6
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	452.28997441
Monoisotopic Mass	452.28997441
Topological Polar Surface Area	86.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	640
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19236282-01	W4022

W4022

Chemical Information

Alternative Products

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