MRS-1523

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H29NO3S
Molecular Weight	399.546
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCOC(=O)C1=C(CCC)C(C(=O)SCC)=C(CC)N=C1C2=CC=CC=C2

InChI

InChIKey=UUSHFEVEROROSP-UHFFFAOYSA-N

InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C23H29NO3S
Molecular Weight	399.546
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Adenosine A3 receptor 24 Target ID: CHEMBL256 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22217884 \| https://www.ncbi.nlm.nih.gov/pubmed/12238926	Antagonist 2849		147.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:58:49 GMT 2025` Edited by `admin` on `Mon Mar 31 21:58:49 GMT 2025`
Record UNII	6D9Q2QUU75
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-PYRIDINECARBOXYLIC ACID, 6-ETHYL-5-((ETHYLTHIO)CARBONYL)-2-PHENYL-4-PROPYL-, PROPYL ESTER

Preferred Name

English

MRS-1523

Code

English

MRS 1523

Code

English

PROPYL 6-ETHYL-5-((ETHYLTHIO)CARBONYL)-2-PHENYL-4-PROPYL-3-PYRIDINECARBOXYLATE

Systematic Name

English

Code System Code Type Description

CAS

212329-37-8

Created by admin on Mon Mar 31 21:58:49 GMT 2025 , Edited by admin on Mon Mar 31 21:58:49 GMT 2025

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EPA CompTox

DTXSID501017166

Created by admin on Mon Mar 31 21:58:49 GMT 2025 , Edited by admin on Mon Mar 31 21:58:49 GMT 2025

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PUBCHEM

3661570

Created by admin on Mon Mar 31 21:58:49 GMT 2025 , Edited by admin on Mon Mar 31 21:58:49 GMT 2025

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FDA UNII

6D9Q2QUU75

Created by admin on Mon Mar 31 21:58:49 GMT 2025 , Edited by admin on Mon Mar 31 21:58:49 GMT 2025

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Related Record Type Details


					6D9Q2QUU75

MRS-1523

ACTIVE MOIETY