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HCYP3A4 Fluorogenic substrate 1

CAT: 0804-HY-155002-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-155002-04Size:25 mg
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Description
HCYP3A4 Fluorogenic substrate 1 is a potrnt hCYP3A4 fluorogenic substrate with an Km value of 0.36 μM. hCYP3A4 Fluorogenic substrate 1 can be used for cell and in vivo imaging[1].
CAS Number
186299-00-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Cytochrome P450
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/hcyp3a4-fluorogenic-substrate-1.html
Purity
99.27
Solubility
DMSO : 12.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=C2C(C3=O)=CC=CC2=CC=C1)N3CC4=CC=C(F)C=C4
Molecular Formula
C19H12FNO2
Molecular Weight
305.30
Precautions
H302, H315, H319
References & Citations
[1]He RJ, et al. Rationally Engineered CYP3A4 Fluorogenic Substrates for Functional Imaging Analysis and Drug-Drug Interaction Studies. J Med Chem. 2023 May 25;66 (10) :6743-6755.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CYP3

Chemical Information

2-(4-Fluorobenzyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CAS Number186299-00-3
PubChem CID10614509
IUPAC Name2-[(4-fluorophenyl)methyl]benzo[de]isoquinoline-1,3-dione
Molecular FormulaC19H12FNO2
Molecular Weight305.3
XLogP3.7
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity456
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H12FNO2/c20-14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2
InChIKey
JVHUQBLLHSIOMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Fluorobenzyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CAS: 186299-00-3
CID: 10614509
Formula: C19H12FNO2
MW: 305.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.3
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass305.08520679
Monoisotopic Mass305.08520679
Topological Polar Surface Area37.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity456
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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