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YM-1

CAT: 0931-T73579-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T73579-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
409086-68-6
Target
HSP, Others, NO Synthase
Related Pathways
Cytoskeletal Signaling, Metabolism, Others, Immunology/Inflammation
Bioactivity
YM-1, a stable and soluble analog of MKT-077, is an orally active inhibitor of Hsp70 that induces cell death in HeLa cells and elevates the levels of p53 and p21 proteins [1] [2].
Smiles
[Cl-].O=C1C(SC(=CC=2C=CC=C[N+]2C)N1CC)=C3SC=4C=CC=CC4N3C
Molecular Formula
C20H20ClN3OS2
Molecular Weight
417.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PyridiniuM, 2-[[3-ethyl-5-(3-Methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]Methyl]-1-Methyl-, chloride (1:1)
CAS Number409086-68-6
PubChem CID118703534
IUPAC Name3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one chloride
Molecular FormulaC20H20ClN3OS2
Molecular Weight418.0
Topological Polar Surface Area78
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity633
SMILES
CCN1C(=CC2=CC=CC=[N+]2C)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.[Cl-]
InChI
InChI=1S/C20H20N3OS2.ClH/c1-4-23-17(13-14-9-7-8-12-21(14)2)26-18(19(23)24)20-22(3)15-10-5-6-11-16(15)25-20;/h5-13H,4H2,1-3H3;1H/q+1;/p-1
InChIKey
KEQDCNWQIQWINZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of PyridiniuM, 2-[[3-ethyl-5-(3-Methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]Methyl]-1-Methyl-, chloride (1:1)
CAS: 409086-68-6
CID: 118703534
Formula: C20H20ClN3OS2
MW: 418.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight418.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass417.0736323
Monoisotopic Mass417.0736323
Topological Polar Surface Area78 Ų
Heavy Atom Count27
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes