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Naphthol AS-MX phosphate

CAT: 0931-T209921-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T209921-01Size:10 mg
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CAS Number
1596-56-1
Target
Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Bioactivity
Naphthol AS-MX phosphate (NASTRp) is a small-molecule inhibitor targeting the CREB (cyclic adenosine monophosphate response element-binding protein) -CBP (CREB-binding protein) transcription factor complex. It exhibits antitumor activity against lung cancer cells by inhibiting tumor cell proliferation (IC50=3.701 μmol/L), colony formation, and anchorage-independent growth in soft agar. This compound is valuable for studying KRAS-mutant lung cancer, particularly in cases of chemotherapy resistance and poor prognosis.
Smiles
O=C(NC1=CC=C(C=C1C)C)C2=CC=3C=CC=CC3C=C2OP(=O)(O)O
Molecular Formula
C19H18NO5P
Molecular Weight
371.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
A9086-100Naphthol AS-MX phosphate
HY-W713875-01Naphthol AS-MX phosphate disodium salt
23821-24Naphthol AS-MX Phosphate, free acid
FN32369-01Naphthol AS-MX
EN70265-01Naphthol AS-MX acetate
285805-01Naphthol AS phosphate
EN70036-01Naphthol AS-TR phosphate
EN67711-01Naphthol AS-CL phosphate

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