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CM39

CAT: 0931-T69366-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69366-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
361156-54-9
Target
Dehydrogenase, Others
Related Pathways
Metabolism, Others
Bioactivity
CM39 is an ALDH inhibitor. Aldehyde dehydrogenase (ALDH) activity is commonly used as a marker to identify cancer stem-like cells. The three ALDH1A isoforms have all been individually implicated in cancer stem-like cells and in chemoresistance.
Smiles
S(CC1=CC(F)=CC=C1)C=2N(C(=O)C3=C(N2)NN=C3)C4=C(C)C=CC=C4
Molecular Formula
C19H15FN4OS
Molecular Weight
366.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one
CAS Number361156-54-9
PubChem CID3248741
IUPAC Name6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
Molecular FormulaC19H15FN4OS
Molecular Weight366.4
XLogP4
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity560
SMILES
CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)F
InChI
InChI=1S/C19H15FN4OS/c1-12-5-2-3-8-16(12)24-18(25)15-10-21-23-17(15)22-19(24)26-11-13-6-4-7-14(20)9-13/h2-10H,11H2,1H3,(H,21,23)
InChIKey
SSEVBNPAVKLWFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one
CAS: 361156-54-9
CID: 3248741
Formula: C19H15FN4OS
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass366.09506045
Monoisotopic Mass366.09506045
Topological Polar Surface Area86.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T61846-01CM398

Alternative Products

CatalogName
GTR19211490-01CM39

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