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AUZ 454

CAT: 0804-HY-15004-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15004-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AUZ 454 (K03861) is a type II CDK2 inhibitor with Kd of 8.2 nM. AUZ 454 (K03861) inhibits CDK2 activity by competing with binding of activating cyclins.
CAS Number
853299-07-7
Product Name Alternative
K03861
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/K03861.html
Purity
99.15
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
NC1=NC(OC2=CC=C(NC(NC3=CC(C(F)(F)F)=C(CN4CCN(C)CC4)C=C3)=O)C=C2)=CC=N1
Molecular Formula
C24H26F3N7O2
Molecular Weight
501.50
Precautions
H302, H315, H319, H335
References & Citations
[1]Alexander LT et al. Type II Inhibitors Targeting CDK2. ACS Chem Biol. 2015 Sep 18;10 (9) :2116-25.|[2]Tang J, et al. Wilms' tumor 1-associating protein promotes renal cell carcinoma proliferation by regulating CDK2 mRNA stability.J Exp Clin Cancer Res. 2018 Feb 27;37 (1) :40.
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

1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea
CAS Number853299-07-7
PubChem CID11260561
IUPAC Name1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
Molecular FormulaC24H26F3N7O2
Molecular Weight501.5
XLogP2.8
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity700
SMILES
CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C(F)(F)F
InChI
InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)
InChIKey
PWDLXPJQFNVTNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea
CAS: 853299-07-7
CID: 11260561
Formula: C24H26F3N7O2
MW: 501.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass501.21000758
Monoisotopic Mass501.21000758
Topological Polar Surface Area109 Ų
Heavy Atom Count36
Formal Charge0
Complexity700
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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