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PNU112455A hydrochloride

CAT: 0931-T8230-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T8230-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21886-12-4
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
>99.99%
Bioactivity
PNU112455A hydrochloride is an ATP site competetive inhibitor of CDK2 and CDK5, binds to the ATP site of CDK2 and CDK5 with Kms of 3.6 and 3.2 μM, respectively.
Smiles
Cl.Nc1cc(Nc2ccc(cc2)S(N)(=O)=O)ncn1
Molecular Formula
C10H12ClN5O2S
Molecular Weight
301.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-((6-Aminopyrimidin-4-yl)amino)benzenesulfonamide hydrochloride
CAS Number21886-12-4
PubChem CID16760362
IUPAC Name4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide;hydrochloride
Molecular FormulaC10H12ClN5O2S
Molecular Weight301.75
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity361
SMILES
C1=CC(=CC=C1NC2=NC=NC(=C2)N)S(=O)(=O)N.Cl
InChI
InChI=1S/C10H11N5O2S.ClH/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17;/h1-6H,(H2,12,16,17)(H3,11,13,14,15);1H
InChIKey
XBXQRCJKDCEQBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((6-Aminopyrimidin-4-yl)amino)benzenesulfonamide hydrochloride
CAS: 21886-12-4
CID: 16760362
Formula: C10H12ClN5O2S
MW: 301.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.75
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass301.0400235
Monoisotopic Mass301.0400235
Topological Polar Surface Area132 Ų
Heavy Atom Count19
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19167188-01PNU112455A hydrochloride
HY-112468-01PNU112455A (hydrochloride)
A22195-2PNU112455A hydrochloride 2mg
A22195-5PNU112455A hydrochloride 5mg
A22195-25PNU112455A hydrochloride 25mg
A22195-10PNU112455A hydrochloride 10mg
A22195-100PNU112455A hydrochloride 100mg
A22195-500PNU112455A hydrochloride 500mg
A22195-50PNU112455A hydrochloride 50mg
A22195-10mM-DPNU112455A hydrochloride 10mM * 1mL in DMSO

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