Mkt-077
Basic information
- CAS
1427472-75-0- Standard SMILES
CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1cccc[n+]1CC.[Cl-]- InChIKey
VSKYOTRJSLYFHX-UXJRWBAGSA-M- Molecular formula
- C21H22ClN3OS2
- Average molar mass
- 432 g/mol
- Monoisotopic mass
- 431.0892824
Overview
Rhodacyanine Analog MKT-077 is a synthetic heterocyclic pyridinium compound. MKT-077 is a water soluble lipophilic cationic molecule and an analog of rhodacyanine dye, which partitions into tumor cell mitochondria where it is thought to act as a metabolic poison, leading to G1 arrest and apoptosis. This agent also shows selective cytotoxicity to cancer cells mediated by its binding to the hsp70 family protein mot-2 and reactivation of tumor suppressor p53 function.
Names & identifiers
- Preferred name
- Mkt-077
- IUPAC
- (2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one chloride
Names & synonyms
MKT-0778PF5ZXI0JESDZ-MKT-077FJ-776SDZ MKT 0771427472-75-0Pyridinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, chloride (1:1)Pyridinium, 1-ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-, chloride (1:1)RefChem:925978147366-41-4Mkt 077(2Z,5E)-3-Ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;chloride
Show more names
MKT 077 [WHO-DD]MKT077CHEMBL33859FJ 7761-Ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]pyridinium chloride (1:1)UNII-8PF5ZXI0JESCHEMBL293916941-Ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride
Database identifiers
- CAS
1427472-75-0、147366-41-4- PubChem CID
- 6444403
- ChEMBL
CHEMBL33859
Properties
Computed structural properties
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 647
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…