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A-3 (hydrochloride)

CAT: 0804-HY-125957-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-125957-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A-3 hydrochloride is a potent, cell-permeable, reversible, ATP-competitive non-selective antagonist of various kinases. It against PKA (Ki=4.3 μM), casein kinase II (Ki=5.1 μM) and myosin light chain kinase (MLCK) (Ki=7.4 μM) . A-3 hydrochloride also inhibits PKC and casein kinase I with Ki values of 47 μM and 80 μM, respectively[1].
CAS Number
78957-85-4
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
CaMK; Casein Kinase; PKA; PKC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics; Neuronal Signaling; Stem Cell/Wnt; TGF-beta/Smad
Applications
Cancer-Kinase/protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/a-3-hydrochloride.html
Purity
99.75
Solubility
DMSO : 125 mg/mL (ultrasonic) |H2O : 50 mg/mL (ultrasonic)
Smiles
O=S(C1=C2C=CC=C(Cl)C2=CC=C1)(NCCN)=O.[H]Cl
Molecular Formula
C12H14Cl2N2O2S
Molecular Weight
321.22
Precautions
H315, H319, H335
References & Citations
[1]Inagaki M, et al. Naphthalenesulfonamides as calmodulin antagonists and protein kinase inhibitors. Mol Pharmacol. 1986 Jun;29 (6) :577-81.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CK1; CK2; PKA; PKC

Chemical Information

N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide hydrochloride
CAS Number78957-85-4
PubChem CID9861903
IUPAC NameN-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide;hydrochloride
Molecular FormulaC12H14Cl2N2O2S
Molecular Weight321.2
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity369
SMILES
C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCN.Cl
InChI
InChI=1S/C12H13ClN2O2S.ClH/c13-11-5-1-4-10-9(11)3-2-6-12(10)18(16,17)15-8-7-14;/h1-6,15H,7-8,14H2;1H
InChIKey
VWAGIWCLJAQLAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide hydrochloride
CAS: 78957-85-4
CID: 9861903
Formula: C12H14Cl2N2O2S
MW: 321.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass320.0153043
Monoisotopic Mass320.0153043
Topological Polar Surface Area80.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity369
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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