Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H43NO9S |
| Molecular Weight | 605.739 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@@]1(CO)C[C@@]6([H])O[C@]7(O)[C@@]([H])(O[C@H](C)C[C@@]78NC(=O)CS8)O[C@]6([H])C2
InChI
InChIKey=GRINEMOQBRCRRY-DJHKYUSNSA-N
InChI=1S/C31H43NO9S/c1-16-11-30(32-24(34)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-33)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h9,16,18-23,26,33,36-37H,3-8,10-15H2,1-2H3,(H,32,34)/t16-,18+,19-,20+,21-,22-,23-,26+,27-,28-,29+,30+,31-/m1/s1
| Molecular Formula | C31H43NO9S |
| Molecular Weight | 605.739 |
| 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 01:03:23 GMT 2023
by
admin
on
Sat Dec 16 01:03:23 GMT 2023
|
| Record UNII |
3SU2W2HMG8
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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11261970
Created by
admin on Sat Dec 16 01:03:23 GMT 2023 , Edited by admin on Sat Dec 16 01:03:23 GMT 2023
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3SU2W2HMG8
Created by
admin on Sat Dec 16 01:03:23 GMT 2023 , Edited by admin on Sat Dec 16 01:03:23 GMT 2023
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676541-58-5
Created by
admin on Sat Dec 16 01:03:23 GMT 2023 , Edited by admin on Sat Dec 16 01:03:23 GMT 2023
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UNBS-1450
Created by
admin on Sat Dec 16 01:03:23 GMT 2023 , Edited by admin on Sat Dec 16 01:03:23 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
The modifications brought about by UNBS1450 led to a decrease in both the DNA-binding capacity of the p65 subunit and the NF-.KAPPA.B transcriptional activity. Using the 3-(4,5-dimethylthiazol-2yl)-dephenyltetrazolium bromide colorimetric assay, we observed in vitro that UNBS1450 was as potent as taxol and SN38 (the active metabolite of irinotecan) in reducing the overall growth levels of the human A549 NSCLC cell line, and was more efficient than platin derivatives, including cisplatin, carboplatin, and oxaliplatin. The chronic in vivo i.p. and p.o. UNBS1450 treatments of human A549 orthotopic xenografts metastasizing to the brains and the livers of immunodeficient mice had a number of significant therapeutic effects on this very aggressive model. (Mol Cancer Ther 2006;5(2):391-399)
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ACTIVE MOIETY |
Class: Anti-neoplastic, Cardenolide; Mechanism of Action: NF-kappa B inhibitor, Sodium channel antagonist; Highest Development Phase: Phase I for Cancer(Update: 31 Dec 2010)
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ACTIVE MOIETY |
