WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206771
CAS#: 2077980-83-5
Description: GLL398 is an Oral Selective Estrogen Receptor Downregulator. GLL398 strongly binds to ERα in a fluorescence resonance energy transfer binding assay (IC50 =1.14 nM) and potently degrades ERα in MCF-7 breast cancer cells (IC50 = 0.21 μM). Most importantly, the introduction of the boronic acid group confers superior oral bioavailability of GLL398 (AUC = 36.9 μg·h/mL) in rats as compared to GW7604 (AUC = 3.35 μg·h/mL). The strikingly favorable pharmacokinetic property of GLL398 makes it a promising oral SERD suitable for clinical evaluation.
MedKoo Cat#: 206771
Name: GLL398
CAS#: 2077980-83-5
Chemical Formula: C25H23BO4
Exact Mass: 398.1689
Molecular Weight: 398.265
Elemental Analysis: C, 75.40; H, 5.82; B, 2.71; O, 16.07
Synonym: GLL398; GLL-398; GLL 398.
IUPAC/Chemical Name: 3-(4-(1-(4-boronophenyl)-2-phenylbut-1-en-1-yl)phenyl)acrylic acid
InChi Key: BINZFDGAOTWQNC-VZBZSUMNSA-N
InChi Code: InChI=1S/C25H23BO4/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(16-14-21)26(29)30)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,29-30H,2H2,1H3,(H,27,28)/b17-10+,25-23-
SMILES Code: O=C(O)/C=C/C1=CC=C(/C(C2=CC=C(B(O)O)C=C2)=C(C3=CC=CC=C3)\CC)C=C1
1: Liu J, Zheng S, Guo S, Zhang C, Zhong Q, Zhang Q, Ma P, Skripnikova EV, Bratton MR, Wiese TE, Wang G. Rational Design of a Boron-Modified Triphenylethylene (GLL398) as an Oral Selective Estrogen Receptor Downregulator. ACS Med Chem Lett. 2016 Nov 29;8(1):102-106. doi: 10.1021/acsmedchemlett.6b00410. eCollection 2017 Jan 12. PubMed PMID: 28105283; PubMed Central PMCID: PMC5238461.
