IBG3
Based on 1 publication(s) in Google Scholar
IBG3 is a bivalent molecular glue degrader that targets BRD2 and BRD4, with an EC50 of 32 nM and a Kd of 0.6 µM against human BRD4. IBG3 exhibits selectivity for BRD2 and BRD4 over BRD3. By recruiting the DCAF16 E3 ligase, IBG3 cis-binds to the tandem bromodomains of BRD2 and BRD4, enhances BRD-DCAF16 binding affinity, promotes ubiquitination and proteasomal degradation, and does not degrade isolated bromodomains. IBG3 lacks degradation selectivity for PSMA-positive and PSMA-negative prostate cancer cells, but shows lower in vivo antitumor efficacy than the PSMA-targeting conjugate IBG-P3, and can be used in prostate cancer-related research.
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- 純度: 98.53%
- 分子式: C54H57N9O5S2
- 分子量:976.22
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保管条件:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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生物活性
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化学情報
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溶剤 & 溶解度
- 純度とドキュメンテーション
- 参考文献
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Help & FAQs
MedChemExpress（MCE）の使用を引用している文献 IBG3
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生物活性
製品説明
IC50 & Target
[1]|
BRD2 8.6 pM (DC50) |
BRD4 6.7 pM (DC50) |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HEK293 | DC50 |
8.6 pM
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Degradation of BRD2 in HEK293 HiBiT knock-in cells expressing BRD2-HiBiT quantified via HiBiT lytic detection system after 5 h incubation.
Degradation of BRD2 in HEK293 HiBiT knock-in cells expressing BRD2-HiBiT quantified via HiBiT lytic detection system after 5 h incubation.
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38383787 |
体外実験
IBG3 has enhanced stability in the BRD4-IBG3-DCAF16 ternary complex compared to the BRD4-IBG1-DCAF16 ternary complex and BRD4-DCAF16 binary complex, with a separation stage free energy contribution of −19.9 kcal/mol, consistent with biophysical assay trends[1].
IBG3 (0.1 nM; 6 h) potently degrades BRD4Tandem in KBM7 reporter cells with a DC50 of 6.7 pM, showing selectivity for BRD2 and BRD4 over BRD3 and requiring intact tandem bromodomains for activity[2].
IBG3 (increasing concentrations; 5 h) potently degrades BRD2 in HEK293 HiBiT knock-in cells with a DC50 of 8.6 pM, while also degrading BRD4 and sparing BRD3[2].
IBG3 (increasing concentrations; 30 min) promotes formation of the BRD4Tandem-DCAF16 ternary complex in vitro with an EC50 of 32 nM[2].
IBG3 (1:1.1 molar ratio of BRD4Tandem to IBG3; 30 min) enhances the affinity of DCAF16-DDB1(ΔBPB)-DDA1 for BRD4Tandem in vitro, with a measured Kd of 177 nM and endothermic binding thermodynamics[2].
IBG3 (0.1 nM; 6 h)-mediated BRD4 degradation in KBM7 reporter cells is dependent on the CRL4-DCAF16 complex[2].
IBG3 (0.001-10 nM; 24 h) potently induces BRD4 degradation in both PSMA-negative PC3 and PSMA-overexpressing PC3-PIP cells, with complete degradation achieved at 10 nM in PC3 cells and 0.01 nM in PC3-PIP cells, and no inherent cell-type selectivity[4].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:human prostate adenocarcinoma PC3 (PSMA-negative), PC3-PIP (PSMA-overexpressing)
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Concentration:0.001, 0.01, 0.1, 1, 10 nM
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Incubation Time:24 h
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Result:Induced complete BRD4 degradation in PC3-PIP cells at concentrations as low as 0.01 nM.
Induced complete BRD4 degradation in PC3 cells at a concentration of 10 nM.
Showed no significant difference in BRD4 degradation activity between PC3 and PC3-PIP cells.
体内実験
IBG3 (0.0004 mg/kg; i.p.; daily; 12 days) induces 29.7% tumor growth inhibition in endogenously PSMA-positive LNCaP prostate cancer xenografts[4].
IBG3 (0.004 mg/kg; i.p.; daily; 5 days) shows detectable selectivity for PSMA-positive over PSMA-negative prostate cancer co-xenografts, inducing 46.4% tumor growth inhibition in PC3-PIP tumors and 16.7% inhibition in PC3 tumors[4].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:NSG (male, 8-10 weeks old, subcutaneous xenograft of PC3-PIP cells)[4]
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Dosage:0.004 mg/kg
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Administration:i.p.; daily; 5 days
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Result:Achieved 46.4% tumor growth inhibition in PC3-PIP xenografts.
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Animal Model:NSG (male, 8-10 weeks old, subcutaneous xenograft of LNCaP cells)[4]
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Dosage:0.0004 mg/kg
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Administration:i.p.; daily; 12 days
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Result:Achieved 29.7% tumor growth inhibition in LNCaP xenografts.
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Animal Model:NSG (male, 8-10 weeks old, subcutaneous co-xenograft of PC3 cells and PC3-PIP cells)[4]
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Dosage:0.004 mg/kg
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Administration:i.p.; daily; 5 days
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Result:Achieved 46.4% tumor growth inhibition in PSMA-positive PC3-PIP tumors.
Achieved 16.7% tumor growth inhibition in PSMA-negative PC3 tumors.
化学情報
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性状 Solid
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分子量 976.22
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分子式 C54H57N9O5S2
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Color Off-white to light yellow
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SMILES
O=C(NCC1=CC=C(C2=N[C@@H](CC(OC(C)(C)C)=O)C3=NN=C(C)N3C4=C2C(C)=C(C)S4)C=C1)C5=CC=C(C6=CC=C(C7=N[C@@H](CC(OC(C)(C)C)=O)C8=NN=C(C)N8C9=C7C(C)=C(C)S9)C=C6)C=C5
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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Publications (1)
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Journal Impact Factor
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Most Recent
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Structure
CAND1 and CAND2 drive CUL4 substrate receptor exchange with largely comparable biochemical efficiency, unlike their relative effects on CUL1. [Abstract]2026 Mar 20:S0969-2126(26)00056-0. PMID: 41864201
溶剤 & 溶解度
体外:
DMSO : 100 mg/mL (102.44 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
純度とドキュメンテーション
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データシート (297 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
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- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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取扱説明書 (2659 KB)
参考文献
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.0244 mL | 5.1218 mL | 10.2436 mL | 25.6090 mL |
| 5 mM | 0.2049 mL | 1.0244 mL | 2.0487 mL | 5.1218 mL | |
| 10 mM | 0.1024 mL | 0.5122 mL | 1.0244 mL | 2.5609 mL | |
| 15 mM | 0.0683 mL | 0.3415 mL | 0.6829 mL | 1.7073 mL | |
| 20 mM | 0.0512 mL | 0.2561 mL | 0.5122 mL | 1.2804 mL | |
| 25 mM | 0.0410 mL | 0.2049 mL | 0.4097 mL | 1.0244 mL | |
| 30 mM | 0.0341 mL | 0.1707 mL | 0.3415 mL | 0.8536 mL | |
| 40 mM | 0.0256 mL | 0.1280 mL | 0.2561 mL | 0.6402 mL | |
| 50 mM | 0.0205 mL | 0.1024 mL | 0.2049 mL | 0.5122 mL | |
| 60 mM | 0.0171 mL | 0.0854 mL | 0.1707 mL | 0.4268 mL | |
| 80 mM | 0.0128 mL | 0.0640 mL | 0.1280 mL | 0.3201 mL | |
| 100 mM | 0.0102 mL | 0.0512 mL | 0.1024 mL | 0.2561 mL |
IBG3 関連分類
HY-160528 関連分類
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