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CAN508

CAT: 0804-HY-100429-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100429-01Size:5 mg
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Description
CAN508 is a potent, ATP-competitive CDK9/cyclin T1 inhibitor with an IC50 of 0.35 μM. CAN508 exhibits a 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes. Antitumor activity[1][2].
CAS Number
140651-18-9
UNSPSC
12352005
Hazard Statement
H302-H318-H410
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/can508.html
Purity
99.59
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
OC1=CC=C(/N=N/C2=C(N)NN=C2N)C=C1
Molecular Formula
C9H10N6O
Molecular Weight
218.22
Precautions
P264-P270-P273-P280-P305+P351+P338-P330-P391-P501
References & Citations
[1]Krystof V, et al. 4-arylazo-3,5-diamino-1H-pyrazole CDK inhibitors: SAR study, crystal structure in complex with CDK2, selectivity, and cellular effects. J Med Chem. 2006;49 (22) :6500-6509.|[2]Tong Z, et al. Antitumor effects of cyclin dependent kinase 9 inhibition in esophageal adenocarcinoma. Oncotarget. 2017;8 (17) :28696-28710.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK1; CDK2; CDK4; CDK7; CDK9

Chemical Information

4-[(E)-(3,5-Diamino-1h-Pyrazol-4-Yl)diazenyl]phenol

CAN-508 is a member of the class of pyrazoles that is 1H-pyrazole substituted by amino, (4-hydroxyphenyl)diazenyl, and amino groups at positions 3, 4 and 5, respectively. It is a CDK9 inhibitor (IC50 = 0.35 M) with 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an apoptosis inducer and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a member of pyrazoles, a member of phenols, an aromatic amine and a monoazo compound.

CAS Number140651-18-9
PubChem CID135398514
IUPAC Name4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
Molecular FormulaC9H10N6O
Molecular Weight218.22
XLogP0.9
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity252
SMILES
C1=CC(=CC=C1N=NC2=C(NN=C2N)N)O
InChI
InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)
InChIKey
AYZRKFOEZQBUEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(E)-(3,5-Diamino-1h-Pyrazol-4-Yl)diazenyl]phenol
CAS: 140651-18-9
CID: 135398514
Formula: C9H10N6O
MW: 218.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.22
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass218.09160896
Monoisotopic Mass218.09160896
Topological Polar Surface Area126 Ų
Heavy Atom Count16
Formal Charge0
Complexity252
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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