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CAN508

CAT: 0127-BUP10839-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10839-05Size:100 mg
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CAS Number
140651-18-9
Purity
=98%
Smiles
Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1

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

Alternative Products

CatalogName
GTR19165858-01CAN508

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