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CS640

CAT: 0804-HY-148907-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148907-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CS640, a chemical probe, is a selective inhibitor of calmodulin-dependent kinases. CS640 inhibits CaMK1D, CaMK1B, CaMK1A, CaMK1G, PIP5K1C, MEK5, RIPK4 and MLK3 with IC50 values of 0.08, 0.03, 0.001, 0.001, 11.2, 0.025, 5.69 and 2.75 μM, respectively. CS640 also shows inhibitory effects to CYP450 2C9 and CYP450 2C19 with IC50 values of 6 and 10 μM, respectively[1].
CAS Number
2388506-83-8
UNSPSC
12352005
Target
CaMK; MEK; Mixed Lineage Kinase
Type
Reference compound
Related Pathways
MAPK/ERK Pathway; Neuronal Signaling
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cs640.html
Purity
96.13
Solubility
DMSO : 5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
NC(C1=CN=C(N2C[C@H](CCC2)N)N=C1NC3=CC(C(C)C)=NC(C(C)C)=C3)=O
Molecular Formula
C21H31N7O
Molecular Weight
397.52
References & Citations
[1]Fromont C, et al. Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesity in Vivo Mouse Model. J Med Chem. 2020 Jul 9;63 (13) :6784-6801.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CAS Number2388506-83-8
PubChem CID145946080
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
Molecular FormulaC21H31N7O
Molecular Weight397.5
XLogP2.8
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity527
SMILES
CC(C)C1=CC(=CC(=N1)C(C)C)NC2=NC(=NC=C2C(=O)N)N3CCC[C@@H](C3)N
InChI
InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1
InChIKey
BWBUPDTUXQDHSX-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CAS: 2388506-83-8
CID: 145946080
Formula: C21H31N7O
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass397.25900864
Monoisotopic Mass397.25900864
Topological Polar Surface Area123 Ų
Heavy Atom Count29
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA9629-10CS640

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