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CP94

CAT: 0931-T84999-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T84999-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115900-75-9
Target
Others
Related Pathways
Others
Bioactivity
CP94, an iron chelator, enhances protoporphyrin IX photobleaching and reduces the viability of A431 squamous epithelial carcinoma cells at a 150 μM concentration with photodynamic therapy (PDT) using protoporphyrin IX precursors such as aminolevulinic acid (ALA), methyl aminolevulinate (MAL), or hexylaminolevulinate (HAL) . Additionally, CP94 (2 mg/ml in drinking water) lowers hepatic non-heme and ferritin-bound iron levels while increasing hepatic protoporphyrin levels in mice. It also counteracts ferrocene-induced rises in rat brain iron levels at a dosage of 100 mg/kg.
Smiles
CCc1c(O)c(=O)ccn1CC
Molecular Formula
C9H13NO2
Molecular Weight
167.205
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CP 94

structure given in first source

CAS Number115900-75-9
PubChem CID86322
IUPAC Name1,2-diethyl-3-hydroxypyridin-4-one
Molecular FormulaC9H13NO2
Molecular Weight167.20
XLogP1.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity253
SMILES
CCC1=C(C(=O)C=CN1CC)O
InChI
InChI=1S/C9H13NO2/c1-3-7-9(12)8(11)5-6-10(7)4-2/h5-6,12H,3-4H2,1-2H3
InChIKey
XIYFEESCIBNMIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CP 94
CAS: 115900-75-9
CID: 86322
Formula: C9H13NO2
MW: 167.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight167.20
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass167.094628657
Monoisotopic Mass167.094628657
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity253
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