WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 408068
CAS#: 2052128-15-9 (free base)
Description: H3B-5942 is a selective, irreversible and orally active estrogen receptor covalent antagonist. In vitro comparisons of H3B-5942 with standard-of-care (SoC) and experimental agents confirmed increased antagonist activity across a panel of ERαWT and ERαMUT cell lines. In vivo, H3B-5942 demonstrated significant single-agent antitumor activity in xenograft models representing ERαWT and ERαY537S breast cancer that was superior to fulvestrant.
MedKoo Cat#: 408068
Name: H3B-5942 free base
CAS#: 2052128-15-9 (free base)
Chemical Formula: C31H34N4O2
Exact Mass: 494.2682
Molecular Weight: 494.639
Elemental Analysis: C, 75.28; H, 6.93; N, 11.33; O, 6.47
Related CAS #: 2052132-46-2 (HCl) 2052128-15-9 (free base)
Synonym: H3B-5942; H3B 5942; H3B5942;
IUPAC/Chemical Name: (E)-4-((2-(4-((E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)amino)-N,N-dimethylbut-2-enamide
InChi Key: BYAUIDXIQATDBT-GIHLFXONSA-N
InChi Code: 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+
SMILES Code: CC/C(C1=CC=CC=C1)=C(C2=CC=C(OCCNC/C=C/C(N(C)C)=O)C=C2)\C3=CC(C=NN4)=C4C=C3
Mutations in estrogen receptor alpha (ERα) that confer resistance to existing classes of endocrine therapies are detected in up to 30% of patients who have relapsed during endocrine treatments. Because a significant proportion of therapy-resistant breast cancer metastases continue to be dependent on ERα signaling, there remains a critical need to develop the next generation of ERα antagonists that can overcome aberrant ERα activity.
1. Puyang X, Furman C, Zheng GZ, et al. Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ERαWT and ERαMUT Breast Cancer. Cancer Discov. 2018;8(9):1176–1193. doi:10.1158/2159-8290.CD-17-1229
2. Furman C, Hao MH, Prajapati S, et al. Estrogen Receptor Covalent Antagonists: The Best Is Yet to Come. Cancer Res. 2019;79(8):1740–1745. doi:10.1158/0008-5472.CAN-18-3634