UNBS-1450

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

Structure Search

SMILES

C[C@@H]1C[C@@]2(NC(=O)CS2)[C@]3(O)O[C@@H]4C[C@@]5(CO)[C@@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C[C@H]4O[C@@H]3O1

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

HIDE SMILES / InChI

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 `Mon Mar 31 20:43:53 GMT 2025` Edited by `admin` on `Mon Mar 31 20:43:53 GMT 2025`
Record UNII	3SU2W2HMG8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UBS-1450

Preferred Name

English

UNBS-1450

Common Name

English

CARD-20(22)-ENOLIDE, 14,19-DIHYDROXY-2,3-(((5S,6R,7S,9R)-6-HYDROXY-9-METHYL-3-OXO-8-OXA-1-THIA-4-AZASPIRO(4.5)DECANE-6,7-DIYL)BIS(OXY))-, (2.ALPHA.,3.BETA.,5.ALPHA.)-

Systematic Name

English

UBS1450

Code

English

(2.ALPHA.,3.BETA.,5.ALPHA.)-14,19-DIHYDROXY-2,3-(((5S,6R,7S,9R)-6-HYDROXY-9-METHYL-3-OXO-8-OXA-1-THIA-4-AZASPIRO(4.5)DECANE-6,7-DIYL)BIS(OXY))CARD-20(22)-ENOLIDE

Systematic Name

English

UNBS1450

Code

English

Code System Code Type Description

PUBCHEM

11261970

Created by admin on Mon Mar 31 20:43:53 GMT 2025 , Edited by admin on Mon Mar 31 20:43:53 GMT 2025

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FDA UNII

3SU2W2HMG8

Created by admin on Mon Mar 31 20:43:53 GMT 2025 , Edited by admin on Mon Mar 31 20:43:53 GMT 2025

PRIMARY

CAS

676541-58-5

Created by admin on Mon Mar 31 20:43:53 GMT 2025 , Edited by admin on Mon Mar 31 20:43:53 GMT 2025

PRIMARY

MANUFACTURER PRODUCT INFORMATION

UNBS-1450

Created by admin on Mon Mar 31 20:43:53 GMT 2025 , Edited by admin on Mon Mar 31 20:43:53 GMT 2025

PRIMARY

Related Record Type Details


					3SU2W2HMG8

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ACTIVE MOIETY

Comments:

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)


					3SU2W2HMG8

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ACTIVE MOIETY

Comments:

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)


					3SU2W2HMG8

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ACTIVE MOIETY