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
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+
| Molecular Formula | C21H22N3OS2 |
| Molecular Weight | 396.549 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
| StereoComments | ASSUMED E.Z DUE TO STERIC HINDRANCE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| 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 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 20:08:43 GMT 2025
by
admin
on
Wed Apr 02 20:08:43 GMT 2025
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| Record UNII |
54E8NG6MH7
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| Record Status |
Validated (UNII)
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| Record Version |
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54E8NG6MH7
Created by
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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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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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| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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CELL->INHIBITOR |
EC50
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IONIC MOIETY |
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TARGET -> INHIBITOR |
Elisa
ALLOSTERIC
IC50
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
The IC50 of MKT-077 toward these tumor cell lines is more than 100 times lower than the IC50 against healthy cell lines. Because of these very favorable properties, MKT-077 has been evaluated as a cancer chemotherapeutic in a phase I trial. The trial was aborted because of the renal toxicity of MKT-077.
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