Linker Information
General Information of This Linker
| Linker ID |
LIN0KBGIK
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| Linker Name |
Styrylboronic acid-Val-Cit-PAB
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| Linker Type |
Cathepsin-cleavable linker
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| Antibody-Linker Relation |
Cleavable
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| Structure |
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| Formula |
C33H47BN6O7
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| Isosmiles |
CC([C@H](NC(C(CC1)CCN1CC2=CC=C(/C=C/B(O)O)C=C2)=O)C(N[C@@H](CCCNC(N)=O)C(NC3=CC=C(CO)C=C3)=O)=O)C
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| InChI |
InChI=1S/C33H47BN6O7/c1-22(2)29(32(44)38-28(4-3-17-36-33(35)45)31(43)37-27-11-9-25(21-41)10-12-27)39-30(42)26-14-18-40(19-15-26)20-24-7-5-23(6-8-24)13-16-34(46)47/h5-13,16,22,26,28-29,41,46-47H,3-4,14-15,17-21H2,1-2H3,(H,37,43)(H,38,44)(H,39,42)(H3,35,36,45)/b16-13+/t28-,29-/m0/s1
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| InChIKey |
DZLXWQYRHMZOCI-DTQRXTAWSA-N
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| Pharmaceutical Properties |
Molecule Weight
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650.586
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Polar area
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206.35
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Complexity
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1286.811944
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xlogp Value
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1.1289
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Heavy Count
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47
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Rot Bonds
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16
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Hbond acc
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8
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Hbond Donor
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8
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Each Antibody-drug Conjugate Related to This Linker
Full Information of The Activity Data of The ADC(s) Related to This Linker
Tra-CAST-MMAE [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
0.2 nM
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High HER2 expression (HER2 +++) | ||
| Method Description |
Cells were seeded in a 96-well white opaque plate at a density of 5 × 103/well (CHO, ATCC, CCL-61) or 1 × 104/well (MCF7 (ATCC, HTB-22), SK-BR-3 (ATCC, HTB-30), SK-OV-3 (ATCC, HTB-77) or JIMT-1 (Beyotime, C6453)). Cells were allowed to attach for 24 h at 37 °C and 5% CO2 in humidified atmosphere. Cells were then treated with serial dilutions of Tra-CAST, Tra-CAST-MMAE and SBA-MMAE or Tra-CASTi, Tra-CASTi-MMAE and DBCO-MMAE for 96 h (BT474, MCF7, SK-BR-3). Cell viability was determined using CellTiter Glo reagents (G7571) and was normalized to the control cells. Data was analyzed by Graphpad software, and the half-maximal effective concentration (EC50) value was calculated by fitting with the log (inhibitor) vs. response module.
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| In Vitro Model | Breast adenocarcinoma | SK-BR-3 cells | CVCL_0033 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
1.2 nM
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High HER2 expression (HER2 +++) | ||
| Method Description |
Cells were seeded in a 96-well white opaque plate at a density of 5 × 103/well (CHO, ATCC, CCL-61) or 1 × 104/well (MCF7 (ATCC, HTB-22), SK-BR-3 (ATCC, HTB-30), SK-OV-3 (ATCC, HTB-77) or JIMT-1 (Beyotime, C6453)). Cells were allowed to attach for 24 h at 37 °C and 5% CO2 in humidified atmosphere. Cells were then treated with serial dilutions of Tra-CAST, Tra-CAST-MMAE and SBA-MMAE or Tra-CASTi, Tra-CASTi-MMAE and DBCO-MMAE for 96 h (BT474, MCF7, SK-BR-3). Cell viability was determined using CellTiter Glo reagents (G7571) and was normalized to the control cells. Data was analyzed by Graphpad software, and the half-maximal effective concentration (EC50) value was calculated by fitting with the log (inhibitor) vs. response module.
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| In Vitro Model | Ovarian serous adenocarcinoma | SKOV-3 cells | CVCL_0532 | ||
| Experiment 3 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal Effective Concentration (EC50) |
1.7 nM
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Positive HER2 expression ( HER2+++/++) | ||
| Method Description |
Cells were seeded in a 96-well white opaque plate at a density of 5 × 103/well (CHO, ATCC, CCL-61) or 1 × 104/well (MCF7 (ATCC, HTB-22), SK-BR-3 (ATCC, HTB-30), SK-OV-3 (ATCC, HTB-77) or JIMT-1 (Beyotime, C6453)). Cells were allowed to attach for 24 h at 37 °C and 5% CO2 in humidified atmosphere. Cells were then treated with serial dilutions of Tra-CAST, Tra-CAST-MMAE and SBA-MMAE or Tra-CASTi, Tra-CASTi-MMAE and DBCO-MMAE for 96 h (BT474, MCF7, SK-BR-3). Cell viability was determined using CellTiter Glo reagents (G7571) and was normalized to the control cells. Data was analyzed by Graphpad software, and the half-maximal effective concentration (EC50) value was calculated by fitting with the log (inhibitor) vs. response module.
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| In Vitro Model | Breast ductal carcinoma | JIMT-1 cells | CVCL_2077 | ||
References