KRIBB11 (CHEBI:228800)

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ChEBI Name	KRIBB11

ChEBI ID	CHEBI:228800

Definition	A member of the class of indazoles that is 1H-indazole substituted by a [6-(methylamino)-3-nitropyridin-2-yl]amino group at position 5. It is an inhibitor of heat shock factor 1 (IC₅₀ = 1.2μM) and suppresses tumour growth in mouse xenograft models.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H12N6O2

Net Charge

Average Mass

284.279

Monoisotopic Mass

284.10217

InChI

InChI=1S/C13H12N6O2/c1-14-12-5-4-11(19(20)21)13(17-12)16-9-2-3-10-8(6-9)7-15-18-10/h2-7H,1H3,(H,15,18)(H2,14,16,17)

InChIKey

NDJJEQIMIJJCLL-UHFFFAOYSA-N

SMILES

CNC1=NC(NC2=CC=C3NN=CC3=C2)=C(C=C1)[N+]([O-])=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. heat shock factor 1 inhibitor Any inhibitor that interferes with the action of heat shock factor 1.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	KRIBB11 (CHEBI:228800) has role antineoplastic agent (CHEBI:35610) KRIBB11 (CHEBI:228800) has role apoptosis inducer (CHEBI:68495) KRIBB11 (CHEBI:228800) has role heat shock factor 1 inhibitor (CHEBI:228801) KRIBB11 (CHEBI:228800) is a C-nitro compound (CHEBI:35716) KRIBB11 (CHEBI:228800) is a aminopyridine (CHEBI:38207) KRIBB11 (CHEBI:228800) is a aromatic amine (CHEBI:33860) KRIBB11 (CHEBI:228800) is a indazoles (CHEBI:38769)

IUPAC Name

N²-(1H-indazol-5-yl)-N⁶-methyl-3-nitropyridine-2,6-diamine

Synonym	Source
N²-1H-indazol-5-yl-N⁶-methyl-3-nitro-2,6-pyridinediamine	ChEBI

Registry Number	Type	Source
342639-96-7	CAS Registry Number	ChEBI

Last Modified

10 January 2024