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NU6300

CAT: 0804-HY-18930-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-18930-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NU6300 is a covalent, irreversible and ATP-competitive CDK2 inhibitor with an IC50 value of 0.16 μM. NU6300 can be used for the research of eukaryotic cell cycle- and transcription-related[1].
CAS Number
2070015-09-5
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/NU6300.html
Purity
98.44
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(C(C=C1)=CC=C1NC2=NC(OCC3CCCCC3)=C4C(NC=N4)=N2)(C=C)=O
Molecular Formula
C20H23N5O3S
Molecular Weight
413.49
Precautions
H302, H315, H319, H335
References & Citations
[1]Anscombe E, et al. Identification and Characterization of an Irreversible Inhibitor of CDK2. Chem Biol. 2015 Sep 17;22 (9) :1159-1164.
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
CDK2

Chemical Information

6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine
CAS Number2070015-09-5
PubChem CID118704754
IUPAC Name6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine
Molecular FormulaC20H23N5O3S
Molecular Weight413.5
XLogP4.4
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity641
SMILES
C=CS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3
InChI
InChI=1S/C20H23N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h2,8-11,13-14H,1,3-7,12H2,(H2,21,22,23,24,25)
InChIKey
KGWSQGUVJUGIPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine
CAS: 2070015-09-5
CID: 118704754
Formula: C20H23N5O3S
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass413.15216079
Monoisotopic Mass413.15216079
Topological Polar Surface Area118 Ų
Heavy Atom Count29
Formal Charge0
Complexity641
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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A21025-10NU6300 10mg
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A21025-5NU6300 5mg
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