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YM-08

CAT: 0013-GTR19219162-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219162-01Size:10 mg
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Description
YM-08 (Compound 7a) is a small molecule, brain-penetrant dual inhibitor of SIRT2 (IC50 = 19.9 μM) and Hsp70. This compound is a useful research tool for investigating the roles of these targets in neurodegenerative disease models, both in vitro and in vivo.
CAS Number
812647-88-4
Field of Research
Epigenetics & Chromatin, Metabolism Research, Molecular Biology, Signal Transduction
Smiles
O=C1C (SC (=CC2=NC=CC=C2) N1CC) =C3SC=4C=CC=CC4N3C
Molecular Formula
C19H17N3OS2
Molecular Weight
367.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 72201046
CAS Number812647-88-4
PubChem CID72201046
IUPAC Name(2Z,5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
Molecular FormulaC19H17N3OS2
Molecular Weight367.5
XLogP3.9
Topological Polar Surface Area87
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity603
SMILES
CCN1/C(=C/C2=CC=CC=N2)/S/C(=C/3\N(C4=CC=CC=C4S3)C)/C1=O
InChI
InChI=1S/C19H17N3OS2/c1-3-22-16(12-13-8-6-7-11-20-13)25-17(18(22)23)19-21(2)14-9-4-5-10-15(14)24-19/h4-12H,3H2,1-2H3/b16-12-,19-17+
InChIKey
UYFLAORTCSDPFM-KZEXJOKWSA-N
Chemical Structure
2D Structure
2D structure of CID 72201046
CAS: 812647-88-4
CID: 72201046
Formula: C19H17N3OS2
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass367.08130452
Monoisotopic Mass367.08130452
Topological Polar Surface Area87 Ų
Heavy Atom Count25
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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