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Naphthol AS-E

CAT: 0804-HY-104068-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-104068-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Naphthol AS-E is a potent and cell-permeable inhibitor of KIX-KID interaction. Naphthol AS-E directly binds to the KIX domain of CBP (Kd:8.6 μM), blocks the interaction between the KIX domain and the KID domain of CREB with IC50 of 2.26 μM. Naphthol AS-E can be used for cancer research.
CAS Number
92-78-4
UNSPSC
12352005
Hazard Statement
H317, H319
Target
Epigenetic Reader Domain; Histone Acetyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/naphthol-as-e.html
Concentration
10mM
Purity
98.0
Solubility
DMSO : 41.67 mg/mL (ultrasonic)
Smiles
O=C(C1=C(O)C=C2C=CC=CC2=C1)NC3=CC=C(Cl)C=C3
Molecular Formula
C17H12ClNO2
Molecular Weight
297.74
Precautions
H317, H319
References & Citations
[1]Fuchun Xie, et al. Synthesis and Evaluation of an O-Aminated Naphthol AS-E as a Prodrug of CREB-mediated Gene Transcription Inhibition. Lett Org Chem. 2013 Jun;10 (5) :380-384.|[2]Bingbing X Li, et al. Discovery of a small-molecule inhibitor of the KIX-KID interaction. Chembiochem. 2009 Nov 23;10 (17) :2721-4.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CBP/p300

Chemical Information

4'-Chloro-3-hydroxy-2-naphthanilide
CAS Number92-78-4
PubChem CID66720
IUPAC NameN-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
Molecular FormulaC17H12ClNO2
Molecular Weight297.7
XLogP4.8
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity368
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)
InChIKey
OHAXNCGNVGGWSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Chloro-3-hydroxy-2-naphthanilide
CAS: 92-78-4
CID: 66720
Formula: C17H12ClNO2
MW: 297.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.7
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass297.0556563
Monoisotopic Mass297.0556563
Topological Polar Surface Area49.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity368
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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