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YM-1

CAT: 0013-GTR19211985-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211985-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YM-1 is an orally bioavailable, stable analog of MKT-077 that acts as an Hsp70 inhibitor. It induces apoptosis in cancer cells like HeLa, concomitant with increased p53 and p21 protein levels, supporting its investigation in oncology research for both in vitro and in vivo applications.
CAS Number
409086-68-6
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
99.58% (May vary between batches)
Smiles
[Cl-].O=C1C (SC (=CC=2C=CC=C[N+]2C) N1CC) =C3SC=4C=CC=CC4N3C
Molecular Formula
C20H20ClN3OS2
Molecular Weight
417.98
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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