2684292-71-3
![Methyl (S)-2-(4-(4'-((4-(N-(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl)benzyl)carbamoyl)-[1,1'-biphenyl]-4-yl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate Chemical Structure](http://file.medchemexpress.cn/product_pic/hy-153459.gif "Methyl (S)-2-(4-(4'-((4-(N-(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl)benzyl)carbamoyl)-[1,1'-biphenyl]-4-yl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate Chemical Structure")
Chemical Structure
Methyl (S)-2-(4-(4'-((4-(N-(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl)benzyl)carbamoyl)-[1,1'-biphenyl]-4-yl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
- CAS No.: 2684292-71-3
- Formula:C44H38N8O5S2
- Molecular Weight:822.95
IUPAC Name: methyl (S)-2-(4-(4'-((4-(N-(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl)benzyl)carbamoyl)-[1,1'-biphenyl]-4-yl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
InChIKey: HHSZFSOLNUHGMP-BHVANESWSA-N
SMILES: CC1=C(C)SC2=C1C(C3=CC=C(C4=CC=C(C=C4)C(NCC5=CC=C(C=C5)S(NC6=C7C(C(C#N)=CN7)=C(C=C6)C)(=O)=O)=O)C=C3)=N[C@@H](CC(OC)=O)C8=NN=C(C)N28
Biological Activity: IBG1 is a bivalent molecular glue degrader targeting BRD2/BRD4, with IC50 values of 12.8 nM and 462 nM, respectively, and an EC50 of 44 nM. By binding to the adjacent BD1 and BD2 bromodomains of BRD2 and BRD4, IBG1 stabilizes the ternary complex formed with DCAF16, thereby driving CRL-mediated ubiquitination and proteasomal degradation. IBG1 induces cancer cell apoptosis and inhibits cancer cell growth in a DCAF16-dependent manner, and downregulates MYC expression through DCAF16-independent BET bromodomain inhibition. IBG1 can be used in research of various cancers including prostate cancer[1][2][3][4][5][6][7][8].
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Methyl (S)-2-(4-(4'-((4-(N-(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl)benzyl)carbamoyl)-[1,1'-biphenyl]-4-yl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate | 99.88% | IBG1 is a bivalent molecular glue degrader targeting BRD2/BRD4, with IC50 values of 12.8 nM and 462 nM, respectively, and an EC50 of 44 nM. By binding to the adjacent BD1 and BD2 bromodomains of BRD2 and BRD4, IBG1 stabilizes the ternary complex formed with DCAF16, thereby driving CRL-mediated ubiquitination and proteasomal degradation. IBG1 induces cancer cell apoptosis and inhibits cancer cell growth in a DCAF16-dependent manner, and downregulates MYC expression through DCAF16-independent BET bromodomain inhibition. IBG1 can be used in research of various cancers including prostate cancer. | ||||||||||||||||||||
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References
- [1]. Winter GE, et al. Extrapolating Lessons from Targeted Protein Degradation to Other Proximity-Inducing Drugs. ACS chemical biology. 2024 Oct 18;19(10):2089-2102.
- [2]. Cai D, et al. Development of Prostate Cancer-Targeting BRD4 Intramolecular Bivalent Molecular Glue Degraders[J]. 2024.
- [3]. Tan B, et al. Quantifying Ternary Complex Stability Through Binding Free Energy Calculations in the Geometric Route[J]. 2026.
- [4]. Hinterndorfer M, et al. Targeted protein degradation for cancer therapy. Nature reviews. Cancer. 2025 Jul;25(7):493-516.
- [5]. Cai D, et al. In vivo validation of intramolecular bivalent glues targeting PSMA reveals potent and tissue-selective BRD4 degradation in prostate cancer[J]. Acta Pharmaceutica Sinica B, 2026.
- [6]. Li YD, et al. Template-assisted covalent modification underlies activity of covalent molecular glues. Nature chemical biology. 2024 Dec;20(12):1640-1649. [Content Brief]
- [7]. Konstantinidou M, et al. Molecular glues for protein-protein interactions: Progressing toward a new dream. Cell chemical biology. 2024 Jun 20;31(6):1064-1088.
- [8]. Hsia O, et al. Targeted protein degradation via intramolecular bivalent glues. Nature. 2024 Mar;627(8002):204-211. [Content Brief]
