Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H52N2O16 |
| Molecular Weight | 840.8661 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=O)C=C4N)[C@H](C)O3)[C@H](C)O2)N(C)C)C5=C(O)C6=C(C(=O)C7=C(C(O)=CC=C7)C6=O)C(O)=C5[C@H]1C(=O)OC
InChI
InChIKey=LPFZXQBRNYTAKP-MWFDHKLHSA-N
InChI=1S/C42H52N2O16/c1-8-42(53)15-25(29-30(33(42)40(52)54-7)37(51)31-32(36(29)50)35(49)28-19(34(31)48)10-9-11-22(28)45)58-26-13-21(44(5)6)38(17(3)55-26)59-27-14-24(47)39(18(4)56-27)60-41-20(43)12-23(46)16(2)57-41/h9-12,16-18,21,24-27,33,38-39,41,45,47,50-51,53H,8,13-15,43H2,1-7H3/t16-,17-,18-,21-,24-,25-,26-,27-,33-,38+,39+,41-,42+/m0/s1
| Molecular Formula | C42H52N2O16 |
| Molecular Weight | 840.8661 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:04:37 GMT 2023
by
admin
on
Sat Dec 16 12:04:37 GMT 2023
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| Record UNII |
Q8FC7A9S5C
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| Record Status |
Validated (UNII)
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| Record Version |
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176665-19-3
Created by
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156613908
Created by
admin on Sat Dec 16 12:04:37 GMT 2023 , Edited by admin on Sat Dec 16 12:04:37 GMT 2023
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Q8FC7A9S5C
Created by
admin on Sat Dec 16 12:04:37 GMT 2023 , Edited by admin on Sat Dec 16 12:04:37 GMT 2023
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Class: Anthracycline; Mechanism of Action: Apoptosis stimulant; Highest Development Phase: Preclinical Cancer
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ACTIVE MOIETY |
As preclinical studies of ID6105, we investigated ID6105's efficacy on human tumors, and cardiotoxicity. In human tumor xenografts, the ID6105's antitumor effects were greater than other anticancer drugs. ID6105 induced tumor regression in Hep G2 human hepatoma model, and slowed down the tumor growth rates in several tumor models. Doxorubicin-refractory tumors such as PC-3, DU-145, and CX-1 were sensitive to ID6105, and the growth of EKVX, lung cancer, which did not respond to paclitaxel, was also inhibited by ID6105, but tumor mass in CFPA, MCF7, and HCT-15 was not reduced by ID6105. The cardiotoxicity of ID6105 has also been assessed in rats. ID6105 did not induce any remarkable histopathological changes in hearts, and its lipid peroxidation in rat cardiac muscles did not occur as much as doxorubicin, indicating that the cardiotoxicity of ID6105 is remarkably lower than that of doxorubicin. Taking all into account, our results suggest that ID6105 would be a promising candidate for a novel anthracycline chemotherapeutic agent.
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ACTIVE MOIETY |
In human tumor xenograft models, ID6105 showed greater antitumor effects on SW620 and NCI-H23 than doxorubicin. The 1 mg/kg of ID6105 treatment reduced size of tumor by 93% in NCI-H23 model whereas doxorubicin (2 mg/kg) showed only 39% inhibition rate. In SW620 model, 0.3 mg/kg of ID6105 proved to be comparable to 2 mg/kg of doxorubicin. Testing with several dosing schedule such as qd10, qd5, and q4d3, we decided intravenous qd5 treatment was an optimal schedule as a dose regimen of ID6105. In conclusion, ID6105 is a potent apoptosis-inducing anthracycline and effective in treatment of tumors with qd5 dosing schedule.
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