S-23906-1

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H27NO7
Molecular Weight	489.5165
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C([C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2)C3=C1C(=O)C4=CC5=CC=CC=C5C=C4N3C

InChI

InChIKey=OASYWNFOHKQIGI-SVBPBHIXSA-N

InChI=1S/C28H27NO7/c1-14(30)34-26-23-21(36-28(3,4)27(26)35-15(2)31)13-20(33-6)22-24(23)29(5)19-12-17-10-8-7-9-16(17)11-18(19)25(22)32/h7-13,26-27H,1-6H3/t26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H27NO7
Molecular Weight	489.5165
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 11:17:35 GMT 2023` Edited by `admin` on `Sat Dec 16 11:17:35 GMT 2023`
Record UNII	XG4ZB23TF4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S-23906-1

Code

English

7H-BENZO(B)PYRANO(3,2-H)ACRIDIN-7-ONE, 1,2-BIS(ACETYLOXY)-1,2,3,14-TETRAHYDRO-6-METHOXY-3,3,14-TRIMETHYL-, (1R,2R)-REL-

Systematic Name

English

S-23906

Code

English

S23906-1

Code

English

Code System Code Type Description

FDA UNII

XG4ZB23TF4

Created by admin on Sat Dec 16 11:17:35 GMT 2023 , Edited by admin on Sat Dec 16 11:17:35 GMT 2023

PRIMARY

PUBCHEM

20684516

Created by admin on Sat Dec 16 11:17:35 GMT 2023 , Edited by admin on Sat Dec 16 11:17:35 GMT 2023

PRIMARY

CAS

228851-54-5

Created by admin on Sat Dec 16 11:17:35 GMT 2023 , Edited by admin on Sat Dec 16 11:17:35 GMT 2023

PRIMARY

Related Record Type Details


					XG4ZB23TF4

S-23906-1

ACTIVE MOIETY

Comments:

The benzoacronycine derivative, S23906-1, was characterized recently as a novel potent antitumor agent through alkylation of the N2 position of guanines in DNA. The results presented here, using GSH as a biological nucleophile, fully support our initial hypothesis that DNA alkylation is the major mechanism of action of the promising anticancer drug S23906-1.