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K00546

CAT: 0804-HY-103647-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103647-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
K00546 is a potent CDK1 and CDK2 inhibitor with IC50s of 0.6 nM and 0.5 nM for CDK1/cyclin B and CDK2/cyclin A, respectively. K00546 is also a potent CDC2-like kinase 1 (CLK1) and CLK3 inhibitor with IC50s of 8.9 nM and 29.2 nM, respectively[1][2][3].
CAS Number
443798-47-8
UNSPSC
12352005
Target
CDK; GSK-3; VEGFR
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PI3K/Akt/mTOR; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/k00546.html
Purity
99.48
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
S=C(N1N=C(NC2=CC=C(S(=O)(N)=O)C=C2)N=C1N)NC3=C(F)C=CC=C3F
Molecular Formula
C15H13F2N7O2S2
Molecular Weight
425.44
References & Citations
[1]Ashley C W Pike, et al. Activation segment dimerization: a mechanism for kinase autophosphorylation of non-consensus sites. EMBO J. 2008 Feb 20;27 (4) :704-14.|[2]Oleg Fedorov, et al. Specific CLK inhibitors from a novel chemotype for regulation of alternative splicing. Chem Biol. 2011 Jan 28;18 (1) :67-76.|[3]Ronghui Lin, et al. 1-Acyl-1H-[1,2,4]triazole-3,5-diamine analogues as novel and potent anticancer cyclin-dependent kinase inhibitors: synthesis and evaluation of biological activities. J Med Chem. 2005 Jun 30;48 (13) :4208-11.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK1; CDK2; CLK; GSK-3; VEGFR2/KDR/Flk-1

Chemical Information

Cdk1/2 Inhibitor III
CAS Number443798-47-8
PubChem CID5330812
IUPAC Name5-amino-N-(2,6-difluorophenyl)-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbothioamide
Molecular FormulaC15H13F2N7O2S2
Molecular Weight425.4
XLogP2.2
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity647
SMILES
C1=CC(=C(C(=C1)F)NC(=S)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F
InChI
InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
InChIKey
ARIOBGGRZJITQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdk1/2 Inhibitor III
CAS: 443798-47-8
CID: 5330812
Formula: C15H13F2N7O2S2
MW: 425.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.4
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass425.05402135
Monoisotopic Mass425.05402135
Topological Polar Surface Area181 Ų
Heavy Atom Count28
Formal Charge0
Complexity647
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

Alternative Products

CatalogName
462496K00546

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