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Naphthol AS-MX phosphate

CAT: 0804-HY-104067-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-104067-01Size:25 mg
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Description
Naphthol AS-MX phosphate (NASTRp) is a small molecule inhibitor of the CREB (cyclic adenosine phosphate reaction element binding protein) -CBP (CREB binding protein) transcription factor complex. Naphthol AS-MX phosphate shows antitumor activity against lung cancer cells, inhibiting tumor cell proliferation (IC50=3.701 μmol/L), colony formation, and anchored independent growth in soft AGAR. Naphthol AS-MX phosphate can be used in the study of KRAS mutated lung cancer, especially for KRAS mutated lung cancer with poor chemotherapy resistance and prognosis[1].
CAS Number
1596-56-1
Product Name Alternative
NASTRp
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/naphthol-as-mx-phosphate.html
Purity
99.50
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(C1=C(OP(O)(O)=O)C=C2C=CC=CC2=C1)NC3=CC=C(C)C=C3C
Molecular Formula
C19H18NO5P
Molecular Weight
371.32
Precautions
H302, H315, H319, H335
References & Citations
[1]Lee J W, et al. A novel small-molecule inhibitor targeting CREB-CBP complex possesses anti-cancer effects along with cell cycle regulation, autophagy suppression and endoplasmic reticulum stress[J]. PLoS One, 2015, 10 (4) : e0122628.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(2,4-Dimethylphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamide
CAS Number1596-56-1
PubChem CID74136
IUPAC Name[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Molecular FormulaC19H18NO5P
Molecular Weight371.3
XLogP3.1
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity550
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O)C
InChI
InChI=1S/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)
InChIKey
IOMLBTHPCVDRHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,4-Dimethylphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamide
CAS: 1596-56-1
CID: 74136
Formula: C19H18NO5P
MW: 371.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.3
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass371.09225967
Monoisotopic Mass371.09225967
Topological Polar Surface Area95.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity550
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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