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8012–3246

CAT: 0013-GTR19274892-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274892-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
8012-3246 is a selective PLK2 inhibitor with an IC50 value of 774.5 nM. It inhibits the phosphorylation of GSK3β and exhibits significant anticancer activity against colorectal cancer.
CAS Number
421586-94-9
Smiles
N#CC1=C (OC=2NN=C (C=3C=CN=CC3) C2C1C4=CC=C (O) C (O) =C4) N
Molecular Formula
C18H13N5O3
Molecular Weight
347.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Amino-4-(3,4-dihydroxyphenyl)-3-(pyridin-4-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Number421586-94-9
PubChem CID4327793
IUPAC Name6-amino-4-(3,4-dihydroxyphenyl)-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Molecular FormulaC18H13N5O3
Molecular Weight347.3
XLogP1.8
Topological Polar Surface Area141
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity611
SMILES
C1=CC(=C(C=C1C2C(=C(OC3=NNC(=C23)C4=CC=NC=C4)N)C#N)O)O
InChI
InChI=1S/C18H13N5O3/c19-8-11-14(10-1-2-12(24)13(25)7-10)15-16(9-3-5-21-6-4-9)22-23-18(15)26-17(11)20/h1-7,14,24-25H,20H2,(H,22,23)
InChIKey
GSYJLNZKXBTEBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Amino-4-(3,4-dihydroxyphenyl)-3-(pyridin-4-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS: 421586-94-9
CID: 4327793
Formula: C18H13N5O3
MW: 347.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.3
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass347.10183929
Monoisotopic Mass347.10183929
Topological Polar Surface Area141 Ų
Heavy Atom Count26
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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