SR9011

SR9011
Identifiers
	IUPAC name 3-(((4-chlorobenzyl)((5-nitrothiophen-2-yl)methyl)amino)methyl)-N-pentylpyrrolidine-1-carboxamide;
CAS Number	1379686-29-9;
PubChem CID	57394021;
ChemSpider	28487552;
UNII	VYI79FLZ6W;
ChEMBL	ChEMBL1961797;
CompTox Dashboard (EPA)	DTXSID601045516 ;
Chemical and physical data
Formula	C23H31ClN4O3S
Molar mass	479.04 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc3ccc(s3)[N+](=O)[O-])C1;
	InChI InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29); Key:PPUYOYQTTWJTIU-UHFFFAOYSA-N;

SR9011 is a research drug that was developed by Professor Thomas Burris of Scripps as an agonist of Rev-ErbAα with a half-maximum inhibitory concentration (IC₅₀) = 790 nM for Rev-Erbα and IC₅₀ = 560 nM for Rev-ErbAβ.^[1] It has been used in the study of the regulation of the circadian rhythm and its links to immune system function, inflammation and cancer.^[2]^[3]^[4]^[5]^[6]^[7]

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Identifiers

IUPAC name 3-(((4-chlorobenzyl)((5-nitrothiophen-2-yl)methyl)amino)methyl)-N-pentylpyrrolidine-1-carboxamide
CAS Number	1379686-29-9
PubChem CID	57394021
ChemSpider	28487552
UNII	VYI79FLZ6W
ChEMBL	ChEMBL1961797
CompTox Dashboard (EPA)	DTXSID601045516
Chemical and physical data
Formula	C₂₃H₃₁ClN₄O₃S
Molar mass	479.04 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc3ccc(s3)[N+](=O)[O-])C1
InChI InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29) Key:PPUYOYQTTWJTIU-UHFFFAOYSA-N