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KG-501 (2-naphthol-AS-E-phosphate) - 98%, high purity , CAS No.18228-17-6

COA

Grade & Purity:

≥98%

Cas Number: 18228-17-6
Molecular Weight: 377.72
PubChem CID: 87517
PubChem SID: 504755888

In stock

Item Number

K414004

Grouped product items
SKU	Size	Availability	Price
K414004-5mg	5mg	3	$53.90
K414004-10mg	10mg	3	$75.90
K414004-50mg	50mg	3	$173.90
K414004-100mg	100mg	3	$313.90
K414004-250mg	250mg	2	$704.90

Epigenetic Reader Domain Inhibitors

View related series

Epigenetic Reader Domain (314) Epigenetics (1496)

Basic Description

Synonyms	C73512 \| FT-0712758 \| Naphtholas-ephosphate \| KG-501 (2-naphthol-AS-E-phosphate) \| [3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate \| (2z)-2-Indol-3-Ylidene-3h-1,3-Thiazole \| UNII-H6R6B93QFC \| AC-35586 \| EINECS 242-106-1 \| Naphthol AS-E
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	KG-501 (2-naphthol-AS-E-phosphate) is a cAMP response element-binding protein (CREB) inhibitor that disrupts CREB-dependent transcription (Ki = 10 μM) and CREB:CBP interaction (Ki = 50 μM). It also disrupts phospho (Ser-133) CREB binding to KIX with a Ki
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information KG-501 (2-naphthol-AS-E-phosphate) KG-501 (2-naphthol-AS-E-phosphate) is a cAMP response element-binding protein (CREB) inhibitor that disrupts CREB-dependent transcription (Ki = 10 μM) and CREB:CBP interaction (Ki = 50 μM). It also disrupts phospho (Ser-133) CREB binding to KIX with a Ki of ≈90 μM, using concentrations of CREB that were within the linear range of the binding assay. Targets CREB In vitro KG-501 inhibits induction of cAMP-responsive genes, at least in part, by blocking the CREB:CBP interaction. The inhibition of the CREB pathway using KG-501, induces an inhibition of neurite outgrowth and synaptogenesis, as well as a decrease of MAP2+ neuronal cells. In vivo KG-501 inhibits CREB, CCL2 expression and ERK phosphorylation, also significantly lowers the cAMP level. CREB might contribute to the neuroprotection opposed neuroinflammation through cAMP/ERK adjustment pathway. KG-501 significantly promots the neurological outcomes of AOM-treated mice, reduces phosphorylation of ERK and the concentration of cAMP in cortex. Cell Research(from reference) Cell lines：HEK293T cells Concentrations：5, 10, 25 μM Incubation Time：20 min

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalenecarboxylic acids and derivatives
      - Level5 Naphthalenecarboxamides
        Level6 Naphthalene-2-carboxanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes	Naphthalenecarboxamides
Direct Parent	Naphthalene-2-carboxanilides
Alternative Parents	Aromatic anilides Aryl phosphomonoesters Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthalene-2-carboxanilide - Aromatic anilide - Aryl phosphate - Aryl phosphomonoester - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Phosphoric acid ester - Organic phosphoric acid derivative - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	3.691
hba_count	2
HBD Count	1
Rotatable Bond	4

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504755888
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755888
IUPAC Name	[3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
INCHI	InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)
InChIKey	RQAQWBFHPMSXKR-UHFFFAOYSA-N
Smiles	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)OP(=O)(O)O
Isomeric SMILES	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)OP(=O)(O)O
Molecular Weight	377.72
Reaxy-Rn	6664478
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6664478&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
L2205412	Certificate of Analysis	Nov 12, 2022	K414004
L2205417	Certificate of Analysis	Nov 12, 2022	K414004
L2205422	Certificate of Analysis	Nov 12, 2022	K414004
L2205413	Certificate of Analysis	Nov 12, 2022	K414004
L2205423	Certificate of Analysis	Nov 12, 2022	K414004
A2416481	Certificate of Analysis	Nov 12, 2022	K414004
A2416482	Certificate of Analysis	Nov 12, 2022	K414004

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 20 mg/mL (52.94 mM); Water: Insoluble; Ethanol: Insoluble;
Sensitivity	Sensitive to light；sensitive to humidity
DMSO(mg / mL) Max Solubility	20
DMSO(mM) Max Solubility	52.949274594938
Water(mg / mL) Max Solubility	＜1
Molecular Weight	377.700 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	377.022 Da
Monoisotopic Mass	377.022 Da
Topological Polar Surface Area	95.900 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	519.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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