Linker Information
General Information of This Linker
| Linker ID |
LIN0XXULC
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| Linker Name |
AU2023279443A1, Example 1, Linker
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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 |
C76H111N17O26
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| Isosmiles |
O=C1[C@@H](NC(C[C@H](NC(CCN(C(CCOCCOCCOCCOCCNC(CCN(C2=O)C(C=C2)=O)=O)=O)CCC(N[C@H](C(N[C@H](C(C)C)C(N[C@H](C(NC3=CC=C(C=C3)CO)=O)CCCNC(N)=O)=O)=O)CC(N[C@@H]4CCOC4=O)=O)=O)=O)C(N[C@H](C(N[C@@H](CCCNC(N)=O)C(NC5=CC=C(CO)C=C5)=O)=O)C(C)C)=O)=O)CCO1
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| InChI |
InChI=1S/C76H111N17O26/c1-45(2)65(71(108)88-51(7-5-25-80-75(77)112)67(104)82-49-13-9-47(43-94)10-14-49)90-69(106)55(41-60(99)84-53-22-32-118-73(53)110)86-58(97)19-28-92(62(101)24-31-114-35-37-116-39-40-117-38-36-115-34-27-79-57(96)21-30-93-63(102)17-18-64(93)103)29-20-59(98)87-56(42-61(100)85-54-23-33-119-74(54)111)70(107)91-66(46(3)4)72(109)89-52(8-6-26-81-76(78)113)68(105)83-50-15-11-48(44-95)12-16-50/h9-18,45-46,51-56,65-66,94-95H,5-8,19-44H2,1-4H3,(H,79,96)(H,82,104)(H,83,105)(H,84,99)(H,85,100)(H,86,97)(H,87,98)(H,88,108)(H,89,109)(H,90,106)(H,91,107)(H3,77,80,112)(H3,78,81,113)/t51-,52-,53-,54+,55-,56-,65-,66+/m0/s1
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| InChIKey |
ZJYGZBKVXJNJDI-FZOZSOLDSA-N
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| Pharmaceutical Properties |
Molecule Weight
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1678.817
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Polar area
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618.01
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Complexity
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3467.129884
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xlogp Value
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-4.4936
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Heavy Count
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119
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Rot Bonds
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56
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Hbond acc
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26
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Hbond Donor
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17
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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
AU2023279443A1 Example 1 [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Cell growth inhibition rate (%) | < 10% | Negative HER2 expression (HER2-) | ||
| Method Description |
Growth inhibition test of HER2-negative human breast cancer cell line (MDA-MB-231). The cells were seeded at 1000 cells / 100 pL / well. The cells were cultured at 37 0 C overnight, then the medium was exchanged with new one (95 uL/well), and the cells were treated with a test compound, which was adjusted to 2 ug/mL with PBS , at 5 uL/well (treatment concentration: 100 ng/mL). The cells were cultured for 6 days, then CellTiter-Glo was added thereto at 100 uL/well, and the luminescence amount of each well was measured.
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| In Vitro Model | Breast adenocarcinoma | MDA-MB-231 cells | CVCL_0062 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Cell growth inhibition rate (%) |
95%
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Positive HER2 expression (HER2+++/++) | ||
| Method Description |
Cell growth inhibition test was carried out on HER2-positive human gastric cancer cell line (NCI-N87), the cells were treated with a test compound or an anti-HER2 antibody (trastuzumab) at a concentration of 100 ng/mL. The cells were cultured for 6 days, then CellTiter-Glo was added and the luminescence amount was measured.
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| In Vitro Model | Gastric tubular adenocarcinoma | NCI-N87 cells | CVCL_1603 | ||