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XL413 xHCl

CAT: 0931-T71339-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T71339-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1169562-71-3
Target
Pim, Casein Kinase, CDK
Related Pathways
Chromatin/Epigenetic, JAK/STAT signaling, Metabolism, Stem Cells, Cell Cycle/Checkpoint
Purity
0.9967
Bioactivity
XL413 HCl is an ATP-competitive Cdc7 inhibitor (IC50: 3.4 nM) that is potent and selective.XL413 HCl inhibited CK2 and PIM1 with IC50 values of 215 and 42 nM, respectively.XL413 HCl showed an EC50 value of 118 against pMCM.
Smiles
Cl.Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Molecular Formula
C14H12ClN3O2.xHCl
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BMS-863233 hydrochloride
CAS Number1169562-71-3
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: 1169562-71-3
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
GTR19209344-01XL413 xHCl
UWB55838-01XL413

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