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NU6102

CAT: 0804-HY-15569-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-15569-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NU6102 is a potent CDK1 and CDK2 inhibitor with IC50s of 9.5 nM and 5.4 nM for CDK1/cyclinB and CDK2/cyclinA3, respectively. NU6102 shows selectivity for CDK1/CDK2 over CDK4 (IC50 of 1.6 μM), DYRK1A (IC50 of 0.9 μM), PDK1 (IC50 of 0.8 μM) and ROCKII (IC50 of 0.6 μM) [1][2].
CAS Number
444722-95-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nu6102.html
Concentration
10mM
Purity
99.23
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(C1=CC=C(NC2=NC(OCC3CCCCC3)=C4N=CNC4=N2)C=C1)(N)=O
Molecular Formula
C18H22N6O3S
Molecular Weight
402.47
Precautions
H302, H315, H319, H335
References & Citations
[1]Ian R Hardcastle, et al. N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2. J Med Chem. 2004 Jul 15;47 (15) :3710-22.|[2]David J Pratt, et al. Dissecting the determinants of cyclin-dependent kinase 2 and cyclin-dependent kinase 4 inhibitor selectivity. J Med Chem. 2006 Sep 7;49 (18) :5470-7.|[3]Huw D Thomas , et al. Preclinical in vitro and in vivo evaluation of the potent and specific cyclin-dependent kinase 2 inhibitor NU6102 and a water soluble prodrug NU6301. Eur J Cancer. 2011 Sep;47 (13) :2052-9.
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; CDK4

Chemical Information

O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CAS Number444722-95-6
PubChem CID4566
IUPAC Name4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide
Molecular FormulaC18H22N6O3S
Molecular Weight402.5
XLogP3.2
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity601
SMILES
C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKey
OWXORKPNCHJYOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CAS: 444722-95-6
CID: 4566
Formula: C18H22N6O3S
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass402.14740976
Monoisotopic Mass402.14740976
Topological Polar Surface Area144 Ų
Heavy Atom Count28
Formal Charge0
Complexity601
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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Alternative Products

CatalogName
BA3784-50NU6102
USA72295-01Cdk1/2 Inhibitor II, NU6102
MBS6110117-01NU6102 (O6-Cyclohexylmethyl-2-(4-sulfamoylanilino)purine)
045108-01NU6102 (O6-Cyclohexylmethyl-2- (4-sulfamoylanilino) purine)

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