(Z)-Guggulsterone

Category	SARS-CoV
CAS	39025-23-5
Description	Z-Guggulsterone is a broad spectrum steroid receptor ligand that acts as a mineralocorticoid, progesterone and glucocorticoid receptor antagonist (Ki = 37, 224 and 252 nM, respectively) and weak androgen receptor agonist (Ki = 315 nM). Z-Guggulsterone is also a selective antagonist of farnesoid X receptor (FXR) exhibiting antilipidemic, antiseptic, antirheumatic and anti-inflammatory activity in vivo.

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Synonyms	(Z)-Guggulsterone;Z-Guggulsterone;Guggulsterone;39025-23-5;95975-55-6;Guggulsterones Z;Cis-Guggulsterone;Guggulsterone E&Z;GUGGULSTERONE Z;Guggulsterone, (Z)-;Z/E-Guggulsterone;(Z)-Pregna-4,17(20)-diene-3,16-dione;6CST3U34GN;DTXSID1033539;Pregna-4,17(20)-diene-3,16-dione, (17Z)-;Pregna-4,17(20)-diene-3,16-dione;(8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione;(17Z)-Pregna-4,17(20)-diene-3,16-dione;Guggulsterone; Guglip; Gugulipid;;(17Z)-Guggulsterone;Guggulsterones E&Z;UNII-6CST3U34GN;4,17(20)-cis-Pregnadiene-3,6-dione;GS;GUGGULSTERONE Z-FORM;SCHEMBL141657;CHEMBL410683;DTXCID9013539;BDBM21725;GUGGULSTERONE Z [USP-RS];CHEBI:135338;CHEBI:229515;GUGGULSTERONE Z-FORM [MI];BCP18087;Tox21_202518;MFCD01310757;AKOS015963432;(Z)-Guggulsterone, analytical standard;AC-6215;CCG-267610;NCGC00091910-01;NCGC00260067-01;AC-28813;AS-79083;DA-53782;DA-68827;pregna-4,17Z(20)-diene-3,16-dione;(17Z)-pregna-4,17-diene-3,16-dione;4,17(20)-trans-Pregnadiene-3,16-dione;CAS-39025-23-5;HY-107738;CS-0029421;S3792;(Z)-Guggulsterone, >=89% (HPLC), powder;G60934;BRD-K26674531-001-01-3;BRD-K26674531-001-02-1;GUGGULSTERONE Z (CONSTITUENT OF GUGGUL) [DSC];Q27264514;Guggulsterone Z, United States Pharmacopeia (USP) Reference Standard;(1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,13-dione;(1Z,3aS,3bR,9aR,9bS,11aS)-1-ethylidene-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,7-dione;
IUPAC Name	(8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
Molecular Weight	490.5
Molecular Formula	C28H22N6O3
Canonical SMILES	CC1=CC(=CC(=C1OC2=NC(=NC=C2C(=O)NOC)NC3=CC=C(C=C3)C#N)C)C4=CC=C(C=C4)C#N
InChI	InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
InChIKey	WDXRGPWQVHZTQJ-OSJVMJFVSA-N
Melting Point	>191°C (dec.)
Purity	≥98% by HPLC
Appearance	Solid