Products for Research Use Only
RegisterLogin

Antitumor agent-101

CAT: 0013-GTR19218723-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19218723-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Antitumor agent-101 is a potent and selective covalent inhibitor of the lysine methyltransferases G9a and GLP, with IC50 values of 8.5 nM and 5.5 nM, respectively. It demonstrates antitumor activity in a PANC-1 xenograft model, making it a valuable chemical probe for epigenetic cancer research in both cellular and animal studies.
CAS Number
2848632-52-8
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Smiles
N (C=1C2=C (C=C (OCCCN3CCCC3) C (OC) =C2) N=C (N (C (C=C) =O) C) N1) C4CCN (C) CC4
Molecular Formula
C26H38N6O3
Molecular Weight
482.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antitumor agent-101
CAS Number2848632-52-8
PubChem CID168476152
IUPAC NameN-[6-methoxy-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-yl]-N-methylprop-2-enamide
Molecular FormulaC26H38N6O3
Molecular Weight482.6
XLogP3.6
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity682
SMILES
CN1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N(C)C(=O)C=C
InChI
InChI=1S/C26H38N6O3/c1-5-24(33)31(3)26-28-21-18-23(35-16-8-13-32-11-6-7-12-32)22(34-4)17-20(21)25(29-26)27-19-9-14-30(2)15-10-19/h5,17-19H,1,6-16H2,2-4H3,(H,27,28,29)
InChIKey
GHCDVBSKNGUGCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antitumor agent-101
CAS: 2848632-52-8
CID: 168476152
Formula: C26H38N6O3
MW: 482.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.6
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass482.30053910
Monoisotopic Mass482.30053910
Topological Polar Surface Area83.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity682
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

Related Products

CatalogName
GTR19221274-01Antitumor agent-36
GTR19219034-01Antitumor agent-110
GTR19217788-01Antitumor agent-89
GTR19217787-01Antitumor agent-67
GTR19217786-01Antitumor agent-49
GTR19217781-01Antitumor agent-107
GTR19212727-01Antitumor agent-47
GTR19212726-01Antitumor agent-48
GTR19212710-01Antitumor agent-88
GTR19212705-01Antitumor agent-82

Alternative Products

CatalogName
MBS5820911Antitumor agent-101
M26058-01Antitumor agent-19
HY-162128Antitumor agent-130
HY-161425Antitumor agent-149
HY-155034Antitumor agent-102
HY-151292Antitumor agent-74
HY-116447-01Antitumor agent-159
HY-149717Antitumor agent-122
HY-115948Antitumor agent-46
HY-152537Antitumor agent-84

Popular Products