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CHR-6494

CAT: 0931-T14959-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T14959-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1333377-65-3
Target
Others, Haspin Kinase
Related Pathways
Cell Cycle/Checkpoint, Others
Purity
0.9878
Bioactivity
CHR-6494 is a haspin inhibitor that inhibits histone H3T3 phosphorylation (IC50: 2 nM) .
Smiles
CCCNc(cc1)nn2c1ncc2c(cc3)cc4c3[nH]nc4
Molecular Formula
C16H16N6
Molecular Weight
292.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine

a haspir inhibitor with antineoplastic activity; structure in first source

CAS Number1333377-65-3
PubChem CID70679308
IUPAC Name3-(1H-indazol-5-yl)-N-propylimidazo[1,2-b]pyridazin-6-amine
Molecular FormulaC16H16N6
Molecular Weight292.34
XLogP2.8
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity378
SMILES
CCCNC1=NN2C(=NC=C2C3=CC4=C(C=C3)NN=C4)C=C1
InChI
InChI=1S/C16H16N6/c1-2-7-17-15-5-6-16-18-10-14(22(16)21-15)11-3-4-13-12(8-11)9-19-20-13/h3-6,8-10H,2,7H2,1H3,(H,17,21)(H,19,20)
InChIKey
CZZCAOGIEGXMBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CAS: 1333377-65-3
CID: 70679308
Formula: C16H16N6
MW: 292.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.34
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass292.14364454
Monoisotopic Mass292.14364454
Topological Polar Surface Area70.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity378
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

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