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DpC

CAT: 0931-T77614-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T77614-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1382469-39-7
Target
Others
Related Pathways
Others
Purity
0.9899
Bioactivity
DPC is an antitumor compound that inhibits cancer cell proliferation with an IC50 of 0.007-0.096 μM.DPC is involved in a variety of anticancer therapies and can be used in cancer research.
Smiles
C(=NNC(N(C)C1CCCCC1)=S)(C2=CC=CC=N2)C3=CC=CC=N3
Molecular Formula
C19H23N5S
Molecular Weight
353.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone

Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone is under investigation in clinical trial NCT02688101 (Dose-finding and Pharmacokinetic Study of DpC, Administered Orally to Patients With Advanced Solid Tumors).

CAS Number1382469-39-7
PubChem CID57380301
IUPAC Name1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
Molecular FormulaC19H23N5S
Molecular Weight353.5
XLogP4
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity441
SMILES
CN(C1CCCCC1)C(=S)NN=C(C2=CC=CC=N2)C3=CC=CC=N3
InChI
InChI=1S/C19H23N5S/c1-24(15-9-3-2-4-10-15)19(25)23-22-18(16-11-5-7-13-20-16)17-12-6-8-14-21-17/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,25)
InChIKey
GNLZNQJBZNOUBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone
CAS: 1382469-39-7
CID: 57380301
Formula: C19H23N5S
MW: 353.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass353.16741693
Monoisotopic Mass353.16741693
Topological Polar Surface Area85.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity441
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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