AMPK activator PT 1 (CHEBI:139579)

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CHEBI:139579 - AMPK activator PT 1

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ChEBI ID	CHEBI:139579
ChEBI Name	AMPK activator PT 1
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Definition	A member of the class of furans that in which the furan ring is substituted by a (2-amino-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl group at position 2 and a 4,5-dimethyl-2-nitrophenyl group at position 5, and i which the amino substituent of the thiazolone has been substituted by a 3-carboxy-4-chlorophenyl group. It is a direct activator of the α-subunit of AMP-activated protein kinase (5' adenosine monophosphate-activated protein kinase, AMPK).
Last Modified	14 February 2018
Submitter	Ceri
Downloads	Molfile

Formula	C23H16ClN3O6S
Net Charge	0
Average Mass	497.916
Monoisotopic Mass	497.04483
SMILES	[H]C(=C1SC(Nc2ccc(Cl)c(C(=O)O)c2)=NC1=O)c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1
InChI	InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)
InChIKey	RTHRCOIONCZINZ-UHFFFAOYSA-N

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	protein kinase agonist An agonist that selectively binds to and activates a protein kinase receptor.

ChEBI Ontology

Outgoing Relation(s)
	AMPK activator PT 1 (CHEBI:139579) has role protein kinase agonist (CHEBI:64106)
	AMPK activator PT 1 (CHEBI:139579) is a C-nitro compound (CHEBI:35716)
	AMPK activator PT 1 (CHEBI:139579) is a 1,3-thiazoles (CHEBI:38418)
	AMPK activator PT 1 (CHEBI:139579) is a aminobenzoic acid (CHEBI:22495)
	AMPK activator PT 1 (CHEBI:139579) is a biaryl (CHEBI:64459)
	AMPK activator PT 1 (CHEBI:139579) is a furans (CHEBI:24129)
	AMPK activator PT 1 (CHEBI:139579) is a monochlorobenzenes (CHEBI:83403)

IUPAC Name
2-chloro-5-[(5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzoic acid

Synonyms	Source
2-Chloro-5-[[5-[[5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-4-oxo-2-thiazolyl]amino]benzoic acid	SUBMITTER
PT 1	ChEBI

Manual Xrefs	Databases
5753734	PubChem Compound

Registry Numbers	Sources
CAS:331002-70-1	SUBMITTER

Citations