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2688785-13-7

2688785-13-7 Structure

2688785-13-7 Structure
IdentificationBack Directory
[Name]

Androsta-1,4-diene-17-carbothioic acid, 17-[(3-amino-4-fluorobenzoyl)oxy]-9-fluoro-11-hydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (11β,16α,17α)-
[CAS]

2688785-13-7
[Synonyms]

Androsta-1,4-diene-17-carbothioic acid, 17-[(3-amino-4-fluorobenzoyl)oxy]-9-fluoro-11-hydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (11β,16α,17α)-
[Molecular Formula]

C29H32F3NO5S
[MOL File]

2688785-13-7.mol
[Molecular Weight]

563.63
Chemical PropertiesBack Directory
[Boiling point ]

673.6±55.0 °C(predicted)
[density ]

1.39±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[pka]

12.84±0.70(predicted)
Hazard InformationBack Directory
[Uses]

Glucocorticoid receptor modulator 3 (Payload 6) is a thioester-containing glucocorticoid receptor modulator (IC50=0.6 nM). Glucocorticoid receptor modulator 3 is designed to inactivate unconjugated payloads rapidly through liver metabolism, thereby minimizing systemic exposure. Glucocorticoid receptor modulator 3 can be utilized in the development of antibody-drug conjugates (ADCs) targeting autoimmune diseases[1].
[References]

[1] Marvin C C, et al. Anti-TNF Thioester Glucocorticoid Antibody–Drug Conjugate Fully Inhibits Inflammation with Minimal Effect on Systemic Corticosterone Levels in a Mouse Arthritis Model[J]. Journal of Medicinal Chemistry, 2024. DOI:10.1021/acs.jmedchem.4c00598
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Company Name: TargetMol Chemicals Inc.  
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Website: https://www.targetmol.cn/
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