antalarmin (CHEBI:139557)

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ChEBI Name	antalarmin

ChEBI ID	CHEBI:139557

Definition	A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidin-4-amine which is substituted by methyl groups at positions 2, 5, and 6, by a mesityl group at position 7, and in which the amino substituent at position 4 has been substituted by ethyl and butyl groups. It is an antagonist of corticotropin-releasing factor 1 (CRF-1) receptors (Ki = 1 nM).

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

Submitter	Daniel Domingo-FernÃ¡ndez

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Formula

C24H34N4

Net Charge

Average Mass

378.554

Monoisotopic Mass

378.27835

InChI

InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3

InChIKey

IXPROWGEHNVJOY-UHFFFAOYSA-N

SMILES

C12=C(N=C(N=C1N(C(=C2C)C)C=3C(=CC(=CC3C)C)C)C)N(CCCC)CC

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):	corticotropin-releasing factor receptor antagonist A hormone antagonist that blocks corticotropin-releasing factor receptors

Application(s):	corticotropin-releasing factor receptor antagonist A hormone antagonist that blocks corticotropin-releasing factor receptors

ChEBI Ontology
Outgoing	antalarmin (CHEBI:139557) has role corticotropin-releasing factor receptor antagonist (CHEBI:76977) antalarmin (CHEBI:139557) is a pyrrolopyrimidine (CHEBI:38670) antalarmin (CHEBI:139557) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

N-butyl-N-ethyl-7-mesityl-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Registry Number	Type	Source
157284-96-3	CAS Registry Number	ChemIDplus

Last Modified

14 February 2018