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XL413 (hydrochloride)

CAT: 1410-M25037-01Size: 1 EachDry Ice: NoHazardous: No
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Description
XL413 inhibits the growth of MDA-MB-231T and COLO 205 cells (IC50s = 118 and 140 nM, respectively) and reduces tumor growth in a COLO 205 mouse xenograft model.
CAS Number
2062200-97-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
326.2
Molecular Formula
C14H12ClN3O2 • HCl
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

BMS-863233 hydrochloride
CAS Number2062200-97-7
PubChem CID135564631
IUPAC Name8-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.2
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity456
SMILES
C1C[C@H](NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl.Cl
InChI
InChI=1S/C14H12ClN3O2.ClH/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);1H/t9-;/m0./s1
InChIKey
UNDKJUKLBNARIZ-FVGYRXGTSA-N
Chemical Structure
2D Structure
2D structure of BMS-863233 hydrochloride
CAS: 2062200-97-7
CID: 135564631
Formula: C14H13Cl2N3O2
MW: 326.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass325.0384821
Monoisotopic Mass325.0384821
Topological Polar Surface Area66.6 Ų
Heavy Atom Count21
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B1015-5XL413 hydrochloride
HY-15260CXL413 (hydrochloride)
MBS579268XL413-hydrochloride
UWB55838-01XL413

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