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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22N3OS2
Molecular Weight 396.549
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 1
Stereo Comments Assumed E, Z isomer

SHOW SMILES / InChI
Structure of MKT-077 Cation

SMILES

CCN1C(=O)\C(S\C1=C/C2=CC=CC=[N+]2CC)=C3/SC4=CC=CC=C4N3C

InChI

InChIKey=QLYHOWIZHHZGPV-XUTLUUPISA-N
InChI=1S/C21H22N3OS2/c1-4-23-13-9-8-10-15(23)14-18-24(5-2)20(25)19(27-18)21-22(3)16-11-6-7-12-17(16)26-21/h6-14H,4-5H2,1-3H3/q+1/b21-19+

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: CHEMBL3885585 (Heat shock 70 kDa protein 1A/1B)
PubMed

PubMed

TitleDatePubMed
Selective Mitochondrial Uptake of MKT-077 Can Suppress Medullary Thyroid Carcinoma Cell Survival In Vitro and In Vivo.
2015-12
Analogs of the Allosteric Heat Shock Protein 70 (Hsp70) Inhibitor, MKT-077, as Anti-Cancer Agents.
2013-11-14
MKT-077, a novel rhodacyanine dye in clinical trials, exhibits anticarcinoma activity in preclinical studies based on selective mitochondrial accumulation.
1996-02-01
Name Type Language
FJ-776 Cation
Preferred Name English
MKT-077 Cation
Code English
Pyridinium, 1-ethyl-2-[(Z)-[(5E)-3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-
Systematic Name English
SDZ-MKT-077 Cation
Code English
SDZ MKT 077 Cation
Code English
1-Ethyl-2-[(Z)-[(5E)-3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]pyridinium
Systematic Name English
Code System Code Type Description
FDA UNII
54E8NG6MH7
Created by admin on Wed Apr 02 20:08:43 GMT 2025 , Edited by admin on Wed Apr 02 20:08:43 GMT 2025
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CAS
1427450-44-9
Created by admin on Wed Apr 02 20:08:43 GMT 2025 , Edited by admin on Wed Apr 02 20:08:43 GMT 2025
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PUBCHEM
3037934
Created by admin on Wed Apr 02 20:08:43 GMT 2025 , Edited by admin on Wed Apr 02 20:08:43 GMT 2025
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