Y-27632 (CHEBI:75393)

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ChEBI Name	Y-27632

ChEBI ID	CHEBI:75393

Definition	A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme.

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

Supplier Information	ChemicalBook:CB0483177, eMolecules:478735, ZINC000006344064

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Wikipedia	License
Hippuric acid (Gr. hippos, horse, ouron, urine) is a carboxylic acid and organic compound. It is found in urine and is formed from the combination of benzoic acid and glycine. Levels of hippuric acid rise with the consumption of phenolic compounds (such as in fruit juice, tea and wine). The phenols are first converted to benzoic acid, and then to hippuric acid and excreted in urine. Hippuric acid crystallizes in rhombic prisms which are readily soluble in hot water, melt at 187 °C, and decompose at about 240 °C. High concentrations of hippuric acid may also indicate a toluene intoxication; however, scientists have called this correlation into question because there are other variables that affect levels of hippuric acid. When many aromatic compounds such as benzoic acid and toluene are taken internally, they are converted to hippuric acid by reaction with the amino acid, glycine.
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Formula

C14H21N3O

Net Charge

Average Mass

247.33600

Monoisotopic Mass

247.16846

InChI

InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1

InChIKey

IYOZTVGMEWJPKR-IJLUTSLNSA-N

SMILES

C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1

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):	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.

ChEBI Ontology
Outgoing	Y-27632 (CHEBI:75393) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925) Y-27632 (CHEBI:75393) is a monocarboxylic acid amide (CHEBI:29347) Y-27632 (CHEBI:75393) is a primary amino compound (CHEBI:50994) Y-27632 (CHEBI:75393) is a pyridines (CHEBI:26421)

IUPAC Name

trans-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexanecarboxamide

Synonyms	Sources
(R)-(+)-trans-N-(4-pyridyl)-4-(1-aminoethyl)-cyclohexanecarboxamide	ChEBI
4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide	IUPHAR
Y 27632	ChEBI

Last Modified

07 October 2013