5-BROMOTETRANDRINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H41BrN2O6
Molecular Weight	701.646
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC3=CC=C(OC4=C(OC)C=CC(C[C@]5([H])N(C)CCC6=C(Br)C(OC)=C(OC)C(OC7=C(OC)C=C(CCN1C)C2=C7)=C56)=C4)C=C3

InChI

InChIKey=ANJMFZGRGHQXMA-VMPREFPWSA-N

InChI=1S/C38H41BrN2O6/c1-40-15-13-24-20-31(43-4)33-21-27(24)28(40)17-22-7-10-25(11-8-22)46-32-19-23(9-12-30(32)42-3)18-29-34-26(14-16-41(29)2)35(39)37(44-5)38(45-6)36(34)47-33/h7-12,19-21,28-29H,13-18H2,1-6H3/t28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H41BrN2O6
Molecular Weight	701.646
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:53:55 UTC 2023` Edited by `admin` on `Sat Dec 16 16:53:55 UTC 2023`
Record UNII	V3ORV27YJY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-BROMOTETRANDRINE

Common Name

English

BROMOTETRANDRINE

Common Name

English

(4AS,16AS)-20-BROMO-3,4,4A,5,16A,17,18,19-OCTAHYDRO-12,21,22,26-TETRAMETHOXY-4,17-DIMETHYL-16H-1,24:6,9-DIETHENO-11,15-METHENO-2H-PYRIDO(2',3':17,18)(1,11)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE

Systematic Name

English

W-198

Code

English

16H-1,24:6,9-DIETHENO-11,15-METHENO-2H-PYRIDO(2',3':17,18)(1,11)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE, 20-BROMO-3,4,4A,5,16A,17,18,19-OCTAHYDRO-12,21,22,26-TETRAMETHOXY-4,17-DIMETHYL-, (4AS,16AS)-

Systematic Name

English

H-1.3

Code

English

Code System Code Type Description

CAS

62067-29-2

Created by admin on Sat Dec 16 16:53:55 UTC 2023 , Edited by admin on Sat Dec 16 16:53:55 UTC 2023

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EPA CompTox

DTXSID901026509

Created by admin on Sat Dec 16 16:53:55 UTC 2023 , Edited by admin on Sat Dec 16 16:53:55 UTC 2023

PRIMARY

FDA UNII

V3ORV27YJY

Created by admin on Sat Dec 16 16:53:55 UTC 2023 , Edited by admin on Sat Dec 16 16:53:55 UTC 2023

PRIMARY

PUBCHEM

9831563

Created by admin on Sat Dec 16 16:53:55 UTC 2023 , Edited by admin on Sat Dec 16 16:53:55 UTC 2023

PRIMARY

Related Record Type Details


					V3ORV27YJY

5-BROMOTETRANDRINE

ACTIVE MOIETY

Comments:

5-Bromotetrandrine (BrTet) was shown to overcome multi-drug resistance (MDR) in vitro and in vivo by inhibiting the overexpression and efflux function of P-glycoprotein in our previous study. The cells were treated with non-toxic concentrations of BrTet (1 microM, 2 microM, 4 microM) or the positive control drug verapamil (Vrp) (10 microM) for 24h followed by a low dose Dox (3 microM) for 24 h. The results showed that BrTet pretreatment followed by Dox led to typical apoptotic characters as indicated by morphologic changes, DNA fragmentation and changes in cell cycle, while the same dose of BrTet, Vrp and Dox alone did not induce apoptosis in Bel7402 cells.