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MKT 077

CAT: 0607-B5657-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5657-10Size:10 mg
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Description
mortalin-2 (mot-2) inhibitor
CAS Number
147366-41-4
Product Name Alternative
1-ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride
Field of Research
Proteases HSP
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=C1N(CC)/C(S/C1=C2SC3=CC=CC=C3N\2C)=C/C4=CC=CC=[N+]4CC.[Cl-]
Molecular Formula
C21H22ClN3OS2
Molecular Weight
432
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Mkt-077

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.

CAS Number147366-41-4
PubChem CID6444403
IUPAC Name(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
Molecular FormulaC21H22ClN3OS2
Molecular Weight432.0
Topological Polar Surface Area78
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity647
SMILES
CCN1/C(=C/C2=CC=CC=[N+]2CC)/S/C(=C/3\N(C4=CC=CC=C4S3)C)/C1=O.[Cl-]
InChI
InChI=1S/C21H22N3OS2.ClH/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;1H/q+1;/p-1/b21-19+;
InChIKey
VSKYOTRJSLYFHX-UXJRWBAGSA-M
Chemical Structure
2D Structure
2D structure of Mkt-077
CAS: 147366-41-4
CID: 6444403
Formula: C21H22ClN3OS2
MW: 432.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass431.0892824
Monoisotopic Mass431.0892824
Topological Polar Surface Area78 Ų
Heavy Atom Count28
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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