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XL413

CAT: 0013-GTR19160011-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160011-08Size:100 mg
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Description
XL-413 is an orally bioavailable cell division cycle 7 homolog (CDC7) kinase inhibitor with potential antineoplastic activity. XL-413 binds to and inhibits the activity of CDC7, which may result in the inhibition of DNA replication and mitosis, the induction of tumor cell apoptosis, and the inhibition of tumor cell proliferation in CDC7-overexpressing tumor cells.
CAS Number
1169558-38-6
Purity
>98% (HPLC)
Smiles
C1C[C@H] (NC1) c1nc (=O) c2c ([nH]1) c1c (o2) ccc (c1) Cl
Molecular Formula
C14H12ClN3O2
Molecular Weight
289.06
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Bms-863233

XL413 is a benzofuropyrimidine that is 3,4-dihydro[1]benzofuro[3,2-d]pyrimidine substituted by (2S)-pyrrolidin-2-yl, oxo and chloro groups at positions 2, 4, and 8, respectively. It is a potent ATP competitive inhibitor of Cdc7 kinase (IC50 = 3.4 nM) and exhibits anticancer properties. It has a role as an antineoplastic agent and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a benzofuropyrimidine, an organochlorine compound and a member of pyrrolidines.

CAS Number1169558-38-6
PubChem CID135564632
IUPAC Name8-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
Molecular FormulaC14H12ClN3O2
Molecular Weight289.71
XLogP2.2
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity456
SMILES
C1C[C@H](NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
InChIKey
JJWLXRKVUJDJKG-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Bms-863233
CAS: 1169558-38-6
CID: 135564632
Formula: C14H12ClN3O2
MW: 289.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.71
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass289.0618043
Monoisotopic Mass289.0618043
Topological Polar Surface Area66.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
UWB55838-01XL413
B1015-5XL413 hydrochloride
112114XL413 HCl

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