NITIDINE METHYL SULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H18NO4.CH3O4S
Molecular Weight	459.469
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COS([O-])(=O)=O.COC1=C(OC)C=C2C(=C1)C=[N+](C)C3=C2C=CC4=C3C=C5OCOC5=C4

InChI

InChIKey=RQQPNGIYTFBRBS-UHFFFAOYSA-M

InChI=1S/C21H18NO4.CH4O4S/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;1-5-6(2,3)4/h4-10H,11H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	CH3O4S
Molecular Weight	111.097
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H18NO4
Molecular Weight	348.3719
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
DNA topoisomerase II 66 Target ID: CHEMBL2094255 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30132517	Inhibitor 8504
DNA topoisomerase I 60 Target ID: CHEMBL1781 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30132517	Inhibitor 8504
DOPA decarboxylase 15 Target ID: CHEMBL1843 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24794108	Inhibitor 8504	1.34 mM [IC50]

PubMed

Title	Date	PubMed
Biological activities of nitidine, a potential anti-malarial lead compound.	2012-03-09	22404785
Benzo[c]phenanthridine bases and their antituberculosis activity.	2001-01	11135299
Comparison of in vitro activities of camptothecin and nitidine derivatives against fungal and cancer cells.	1999-12	10582872
HIV-1 and HIV-2 reverse transcriptases: a comparative study of sensitivity to inhibition by selected natural products.	1992-05-29	1376118
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.	1991-01-01	1710653

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:16:40 GMT 2025` Edited by `admin` on `Mon Mar 31 22:16:40 GMT 2025`
Record UNII	7S3U26FNX3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NITIDINE METHYL SULFATE

Common Name

English

NSC-160842

Preferred Name

English

2,3-DIMETHOXY-12-METHYL(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM METHYL SULFATE

Systematic Name

English

(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM, 2,3-DIMETHOXY-12-METHYL-, METHYL SULFATE (1:1)

Systematic Name

English

(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM, 2,3-DIMETHOXY-12-METHYL-, METHYL SULFATE

Systematic Name

English

Code System Code Type Description

CAS

41349-35-3