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NSC45586

CAT: 0957-S4451-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S4451-01Size:5 mg
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Description
NSC45586 is an inhibitor of PHLPP (Pleckstrin homology domain and leucine-rich repeat protein phosphatase), which is selective for PHLPP1 and PHLPP2.
CAS Number
6300-44-3
Target
Phosphatase
Activity
Metabolism
Molecular Formula
C20H17N6NaO3
Storage Conditions
3 years -20°C powder

Chemical Information

NSC45586 sodium
CAS Number6300-44-3
PubChem CID137530162
IUPAC Namesodium 5-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-2-hydroxybenzoate
Molecular FormulaC20H17N6NaO3
Molecular Weight412.4
Topological Polar Surface Area162
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity613
SMILES
CC1=CC(=C(C=C1N)N)N=NC2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)[O-].[Na+]
InChI
InChI=1S/C20H18N6O3.Na/c1-11-8-18(17(22)10-16(11)21)26-24-13-4-2-12(3-5-13)23-25-14-6-7-19(27)15(9-14)20(28)29;/h2-10,27H,21-22H2,1H3,(H,28,29);/q;+1/p-1
InChIKey
XPYXCDXPWJROPD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of NSC45586 sodium
CAS: 6300-44-3
CID: 137530162
Formula: C20H17N6NaO3
MW: 412.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass412.12598271
Monoisotopic Mass412.12598271
Topological Polar Surface Area162 Ų
Heavy Atom Count30
Formal Charge0
Complexity613
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

Alternative Products

CatalogName
MBS5765117NSC45586
HY-19820A-01NSC45586 (sodium)

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