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CP94

CAT: 0013-GTR19232456-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232456-04Size:25 mg
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Description
CP94 is an iron chelator that enhances protoporphyrin IX photobleaching and reduces A431 cell viability in ALA-based PDT in vitro. In vivo, it modulates hepatic and brain iron and protoporphyrin levels in rodent models, supporting research in photodynamic therapy and iron metabolism.
CAS Number
115900-75-9
Smiles
CCc1c (O) c (=O) ccn1CC
Molecular Formula
C9H13NO2
Molecular Weight
167.205
Storage Conditions
-20°C
Notes
For research use only.

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

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