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 8297
DNA topoisomerase I 59 Target ID: CHEMBL1781 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30132517	Inhibitor 8297
DOPA decarboxylase 15 Target ID: CHEMBL1843 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24794108	Inhibitor 8297	1.34 mM [IC50]

PubMed

Title	Date	PubMed
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.	1991 Jan-Feb	1710653
HIV-1 and HIV-2 reverse transcriptases: a comparative study of sensitivity to inhibition by selected natural products.	1992 May 29	1376118
Comparison of in vitro activities of camptothecin and nitidine derivatives against fungal and cancer cells.	1999 Dec	10582872
Benzo[c]phenanthridine bases and their antituberculosis activity.	2001 Jan	11135299
Biological activities of nitidine, a potential anti-malarial lead compound.	2012 Mar 9	22404785

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:43:51 GMT 2023` Edited by `admin` on `Sat Dec 16 08:43:51 GMT 2023`
Record UNII	7S3U26FNX3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NITIDINE METHYL SULFATE

Common 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

NSC-160842

Code

English

Code System Code Type Description

CAS

41349-35-3