H3B-5942 is a selective and irreversible estrogen receptor covalent antagonist that inactivates ERα WT and Erα mutants with Ki values of 1 nM and 0.41 nM, respectively.

 

Brand: BCM

 

Target: Estrogen Receptor/ERR; Estrogen/progestogen Receptor

 

Signaling Pathways: Endocrinology/Hormones

 

In Vitro: H3B-5942 dosed once (q.d.×1) orally at 30 to 300 mg/kg showed a dose-proportional increase in plasma and tumor exposure and a concomitant dose-proportional decrease in expression of the ERα target genes PGR and NPY1R in the ERαY537S/WT ST941 tumor model.?Single or repeat dosing of H3B-5942 at 200 mg/kg suppressed a large panel of direct ERα target genes, with q.d.×1 dosing maintaining target gene suppression for up to 72 hours after dose, and q.d.×3 (3 daily doses) dosing demonstrating greatest suppression in PGR and NPY1R

 

Boiling Point: 717.7±60.0 °C(Predicted)

 

pKa: 14.20±0.40(Predicted)

 

Solubility: Soluble in DMSO; Soluble in Ethanol. Insoluble in Water.

 

GHS: GHS07

 

Isomeric SMILES: CC/C(=C(/C1=CC=C(C=C1)OCCNC/C=C/C(=O)N(C)C)\C2=CC3=C(C=C2)NN=C3)/C4=CC=CC=C4  

 

InChIKey: BYAUIDXIQATDBT-GIHLFXONSA-N  

 

InChI: InChI=1S/C31H34N4O2/c1-4-28(23-9-6-5-7-10-23)31(25-14-17-29-26(21-25)22-33-34-29)24-12-15-27(16-13-24)37-20-19-32-18-8-11-30(36)35(2)3/h5-17,21-22,32H,4,18-20H2,1-3H3,(H,33,34)/b11-8+,31-28+

 

Attribute
[Chem Name]	(E)-4-[2-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethylamino]-N,N-dimethylbut-2-enamide
[Synonym]	H3B-5942
[CAS No.]	2052128-15-9
[MDL No.]	MFCD31807608
[Formula]	C31H34N4O2
[Molecular]	494.63
[Form]	A crystalline solid
[Storage]	Sealed in dry, 2-8°C

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