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FEN1-IN-3

CAT: 0804-HY-136484-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-136484-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FEN1-IN-3 (Compound 4) is a human flap endonuclease-1 (hFEN1) inhibitor. FEN1-IN-3 stabilizes hFEN1 with an EC50 of 6.8 μM[1].
CAS Number
2109805-87-8
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
FLAP
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/fen1-in-3.html
Concentration
10mM
Purity
98.06
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C(N1O)N(C2=CC=C(OC)C=C2)C3=C(C=CC=C3)C1=O
Molecular Formula
C15H12N2O4
Molecular Weight
284.27
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Jack C Exell, et al. Cellularly Active N-hydroxyurea FEN1 Inhibitors Block Substrate Entry to the Active Site. Nat Chem Biol. 2016 Oct;12 (10) :815-21.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fen1-IN-3
CAS Number2109805-87-8
PubChem CID132585224
IUPAC Name3-hydroxy-1-(4-methoxyphenyl)quinazoline-2,4-dione
Molecular FormulaC15H12N2O4
Molecular Weight284.27
XLogP1.8
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity420
SMILES
COC1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)N(C2=O)O
InChI
InChI=1S/C15H12N2O4/c1-21-11-8-6-10(7-9-11)16-13-5-3-2-4-12(13)14(18)17(20)15(16)19/h2-9,20H,1H3
InChIKey
BBJIIPZSHQTBLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fen1-IN-3
CAS: 2109805-87-8
CID: 132585224
Formula: C15H12N2O4
MW: 284.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight284.27
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass284.07970687
Monoisotopic Mass284.07970687
Topological Polar Surface Area70.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity420
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