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DpC

CAT: 0804-HY-114243-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114243-01Size:5 mg
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Description
DpC is an anti-tumor agent. DpC inhibits cancer cell proliferation (IC50: 0.007-0.096 μM) . DpC synergizes with multiple anti-cancer therapeutics[1].
CAS Number
1382469-39-7
Product Name Alternative
Adonitol-3-13C; Adonite-3-13C, Adonitol-5-13C; Adonite-5-13C
UNSPSC
12352005
Hazard Statement
H301
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dpc.html
Purity
98.73
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
S=C(N/N=C(C1=NC=CC=C1)\C2=NC=CC=C2)N(C3CCCCC3)C
Molecular Formula
C19H23N5S
Molecular Weight
353.48
Precautions
H301
References & Citations
[1]Dharmasivam M, et al. The thiosemicarbazone, DpC, broadly synergizes with multiple anti-cancer therapeutics and demonstrates temperature- and energy-dependent uptake by tumor cells. Biochim Biophys Acta Gen Subj. 2022 Aug;1866 (8) :130152.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 4

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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