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CDK5-IN-1

CAT: 0804-HY-139725-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139725-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CDK5-IN-1 is a potent CDK5 inhibitor with an IC50 less than 10 nM. CDK5-IN-1 is greater than 100-fold more active against CDK5 than CDK2. CDK5-IN-1 is used for kidney diseases research[1].
CAS Number
2639540-19-3
UNSPSC
12352005
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/cdk5-in-1.html
Purity
98.47
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=S(C1=CC=C2C=NC(NC3=CC=C(N4N=C(CO)C=C4)C=C3F)=CC2=N1)(C5CCN(CC5)C)=O
Molecular Formula
C24H25FN6O3S
Molecular Weight
496.56
References & Citations
[1]Goran MALOJCIC, et al. Substituted 1, 6-naphthyridine inhibitors of cdk5. Patent WO2021067569.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK5

Chemical Information

Cdk5-IN-1
CAS Number2639540-19-3
PubChem CID163323749
IUPAC Name[1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)sulfonyl-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
Molecular FormulaC24H25FN6O3S
Molecular Weight496.6
XLogP2.4
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity808
SMILES
CN1CCC(CC1)S(=O)(=O)C2=NC3=CC(=NC=C3C=C2)NC4=C(C=C(C=C4)N5C=CC(=N5)CO)F
InChI
InChI=1S/C24H25FN6O3S/c1-30-9-7-19(8-10-30)35(33,34)24-5-2-16-14-26-23(13-22(16)28-24)27-21-4-3-18(12-20(21)25)31-11-6-17(15-32)29-31/h2-6,11-14,19,32H,7-10,15H2,1H3,(H,26,27)
InChIKey
IKQUPLXGMFFIRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdk5-IN-1
CAS: 2639540-19-3
CID: 163323749
Formula: C24H25FN6O3S
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass496.16928802
Monoisotopic Mass496.16928802
Topological Polar Surface Area122 Ų
Heavy Atom Count35
Formal Charge0
Complexity808
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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