MRS4833 (CHEBI:233335)

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CHEBI:233335 - MRS4833

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ChEBI ID	CHEBI:233335
ChEBI Name	MRS4833
Stars
Definition	A member of the class of naphthoic acids that is 2-naphthoic acid substituted by 4-[(1R,5S,6r)-6-hydroxy-3-azabicyclo[3.1.1]heptan-6-yl]phenyl and 4-(trifluoromethyl)phenyl groups at positions 4 and 7, respectively. It is a P2Y₁₄ receptor antagonist that reverses chronic neuropathic pain in a mouse model.
Last Modified	30 January 2025
Submitter	Adnan
Downloads	Molfile

Formula	C30H24F3NO3
Net Charge	0
Average Mass	503.520
Monoisotopic Mass	503.17083
SMILES	O=C(O)c1cc(-c2ccc([C@@]3(O)[C@@H]4CNC[C@H]3C4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
InChI	InChI=1S/C30H24F3NO3/c31-30(32,33)23-8-1-17(2-9-23)19-5-10-26-20(11-19)12-21(28(35)36)13-27(26)18-3-6-22(7-4-18)29(37)24-14-25(29)16-34-15-24/h1-13,24-25,34,37H,14-16H2,(H,35,36)/t24-,25+,29+
InChIKey	BFIYEIMEFITOEG-ZQBGQUGVSA-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 Roles:	analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. P2Y14 receptor antagonist An antagonist at the P2Y₁₄ receptor.
Application:	analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.

ChEBI Ontology

Outgoing Relation(s)
	MRS4833 (CHEBI:233335) has role analgesic (CHEBI:35480)
	MRS4833 (CHEBI:233335) has role P2Y₁₄ receptor antagonist (CHEBI:233336)
	MRS4833 (CHEBI:233335) is a (trifluoromethyl)benzenes (CHEBI:83565)
	MRS4833 (CHEBI:233335) is a bridged compound (CHEBI:35990)
	MRS4833 (CHEBI:233335) is a monocarboxylic acid (CHEBI:25384)
	MRS4833 (CHEBI:233335) is a naphthoic acid (CHEBI:25483)
	MRS4833 (CHEBI:233335) is a secondary amino compound (CHEBI:50995)
	MRS4833 (CHEBI:233335) is a tertiary alcohol (CHEBI:26878)

IUPAC Name
4-{4-[(1R,5S,6r)-6-hydroxy-3-azabicyclo[3.1.1]heptan-6-yl]phenyl}-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid

Synonyms	Source
MRS-4833	ChEBI
MRS 4833	ChEBI

Registry Numbers	Sources
CAS:2801627-78-9	ChEBI

Citations