ALAZANINE TRICLOFENATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21N2S2.2C6H3Cl3O.C6H2Cl3O
Molecular Weight	956.866
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC(Cl)=C(Cl)C=C1Cl.OC2=CC(Cl)=C(Cl)C=C2Cl.[O-]C3=CC(Cl)=C(Cl)C=C3Cl.CCN4C(SC5=CC=CC=C45)=CC=CC6=[N+](CC)C7=C(S6)C=CC=C7

InChI

InChIKey=PLQBHQQNSXWTNI-UHFFFAOYSA-M

InChI=1S/C21H21N2S2.3C6H3Cl3O/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;3*7-3-1-5(9)6(10)2-4(3)8/h5-15H,3-4H2,1-2H3;3*1-2,10H/q+1;;;/p-1

HIDE SMILES / InChI

Molecular Formula	C21H21N2S2
Molecular Weight	365.535
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Molecular Formula	C6H2Cl3O
Molecular Weight	196.438
Charge	-1
Count

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

Description
Sources: https://chem.nlm.nih.gov/chemidplus/rn/0005779599 | https://www.ncbi.nlm.nih.gov/pubmed/21817045

Alazanine triclofenate is a mixture of one molecule of 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)propenyl)benzothiazolium 2,4,5-trichlorophenate and two molecules of 2,4,5-trichlorophenol. It is an antiparasitic agent. It is antimalarial drug, highly active against multiple Plasmodium falciparum isolates with IC50 value of 2.36E-07 M.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Plasmodium falciparum 74 Target ID: CHEMBL364 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21817045	Inhibitor 8297		23.6 µM [IC50]

PubMed

Title	Date	PubMed
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.	2011 Aug 5	21817045

Patents

Sample Use Guides

In Vitro Use Guide

Alazanine triclofenate is highly active against multiple Plasmodium falciparum isolates with IC50 value of 2.36E-07 M.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:51:08 GMT 2023` Edited by `admin` on `Sat Dec 16 15:51:08 GMT 2023`
Record UNII	18V0PLQ75G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALAZANINE TRICLOFENATE

Official Name

English

A MIXTURE OF ONE MOLECULE OF 3-ETHYL-2-(3-(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)PROPENYL)BENZOTHIAZOLIUM 2,4,5-TRICHLOROPHENATE AND TWO MOLECULES OF 2,4,5-TRICHLOROPHENOL

Common Name

English

alazanine triclofenate [INN]

Common Name

English

GNF-PF-2304

Code

English

Code System Code Type Description

EVMPD

SUB05294MIG