HYDROMETHYLTHIONINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H19N3S
Molecular Weight	285.407
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)C1=CC2=C(NC3=C(S2)C=C(C=C3)N(C)C)C=C1

InChI

InChIKey=QTWZICCBKBYHDM-UHFFFAOYSA-N

InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C16H19N3S
Molecular Weight	285.407
Charge	0
Count

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

Description
Sources: http://taurx.com/lmtx-for-alzheimers.html | https://clinicaltrials.gov/ct2/show/NCT03446001 | https://www.ncbi.nlm.nih.gov/pubmed/25759392

L-MTX is a second-generation tau protein aggregation inhibitor. It acts by reducing levels of aggregated or misfolded tau proteins, which are associated with the progressive neurodegeneration. It is currently under development for the treatment of Alzheimer’s disease.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Tau protein aggregation 3 Target ID: Tau protein aggregation Sources: https://www.ncbi.nlm.nih.gov/pubmed/26809554\|http://taurx.com/lmtx-for-alzheimers.html\|https://www.ncbi.nlm.nih.gov/pubmed/25759392	Inhibitor 8297		0.12 µM [Ki]

PubMed

Title	Date	PubMed
Tau-aggregation inhibitor therapy for Alzheimer's disease.	2014 Apr 15	24361915
Cellular Models of Aggregation-dependent Template-directed Proteolysis to Characterize Tau Aggregation Inhibitors for Treatment of Alzheimer Disease.	2015 Apr 24	25759392
Efficacy and safety of tau-aggregation inhibitor therapy in patients with mild or moderate Alzheimer's disease: a randomised, controlled, double-blind, parallel-arm, phase 3 trial.	2016 Dec 10	27863809

Patents

Sample Use Guides

In Vivo Use Guide

L-MTX is given as a monotherapy at doses of 8 mg/day (taken as 4 mg twice daily) and of 16 mg/day (taken as 8 mg twice daily).

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:54:58 GMT 2023` Edited by `admin` on `Fri Dec 15 18:54:58 GMT 2023`
Record UNII	IHU4GYZ2R3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HYDROMETHYLTHIONINE

Official Name

English

METHYLENE BLUE, LEUCO

Common Name

English

LEUCOMETHYLENE BLUE

Common Name

English

METHYLENE BLUE LEUCO FORM

Common Name

English

hydromethylthionine [INN]

Common Name

English

10H-PHENOTHIAZINE-3,7-DIAMINE, N3,N3,N7,N7-TETRAMETHYL-

Systematic Name

English

N3,N3,N7,N7-Tetramethyl-10H-phenothiazine-3,7-diamine

Systematic Name

English

HYDROMETHYLTHIONINE [USAN]

Common Name

English

REDUCED METHYLENE BLUE

Common Name

English

LEUKOMETHYLENE BLUE

Common Name

English

Code System Code Type Description

CAS

613-11-6

Created by admin on Fri Dec 15 18:54:58 GMT 2023 , Edited by admin on Fri Dec 15 18:54:58 GMT 2023

PRIMARY

INN

10814

Created by admin on Fri Dec 15 18:54:58 GMT 2023 , Edited by admin on Fri Dec 15 18:54:58 GMT 2023

PRIMARY

FDA UNII

IHU4GYZ2R3

Created by admin on Fri Dec 15 18:54:58 GMT 2023 , Edited by admin on Fri Dec 15 18:54:58 GMT 2023

PRIMARY

EPA CompTox

DTXSID2047985

Created by admin on Fri Dec 15 18:54:58 GMT 2023 , Edited by admin on Fri Dec 15 18:54:58 GMT 2023

PRIMARY

CHEBI

134180

Created by admin on Fri Dec 15 18:54:58 GMT 2023 , Edited by admin on Fri Dec 15 18:54:58 GMT 2023

PRIMARY

SMS_ID

300000034135

Created by admin on Fri Dec 15 18:54:58 GMT 2023 , Edited by admin on Fri Dec 15 18:54:58 GMT 2023

PRIMARY

NCI_THESAURUS

C170046

Created by admin on Fri Dec 15 18:54:58 GMT 2023 , Edited by admin on Fri Dec 15 18:54:58 GMT 2023

PRIMARY

USAN

CD-162

Created by admin on Fri Dec 15 18:54:59 GMT 2023 , Edited by admin on Fri Dec 15 18:54:59 GMT 2023

PRIMARY

PUBCHEM

164695

Created by admin on Fri Dec 15 18:54:58 GMT 2023 , Edited by admin on Fri Dec 15 18:54:58 GMT 2023

PRIMARY

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HYDROMETHYLTHIONINE DIHYDROBROMIDE

SALT/SOLVATE -> PARENT

Amount:


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HYDROMETHYLTHIONINE MESYLATE

SALT/SOLVATE -> PARENT

Amount:


					QR9EFE0TG6

MICROTUBULE-ASSOCIATED PROTEIN TAU (PAIRED HELICAL FILAMENTS (PHF))

TARGET->INHIBITOR OF AGGREGATION

Amount:

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METHYLENE BLUE CATION

PARENT -> METABOLITE

Comments:

Maybe non-enzymatic reversible. Predominant metabolite in urine.

Qualification:

URINE

Amount:

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					IHU4GYZ2R3

HYDROMETHYLTHIONINE

ACTIVE MOIETY

Amount:

Details

SMILES

InChI

DescriptionSources: http://taurx.com/lmtx-for-alzheimers.html | https://clinicaltrials.gov/ct2/show/NCT03446001 | https://www.ncbi.nlm.nih.gov/pubmed/25759392

Originator

Approval Year

Targets

PubMed

Patents

Sample Use Guides

Description
Sources: http://taurx.com/lmtx-for-alzheimers.html | https://clinicaltrials.gov/ct2/show/NCT03446001 | https://www.ncbi.nlm.nih.gov/pubmed/25759392