Products for Research Use Only
RegisterLogin

TP0472993

CAT: 0931-T67916-04Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T67916-04Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2126874-77-7
Target
Cytochromes P450
Related Pathways
Metabolism
Purity
0.9865
Bioactivity
CYP4A11/CYP4F2-IN-2 is a potent and orally active dual inhibitor of cytochrome P450 (CYP) 4A11 and CYP4F2, with IC50 values of 140 nM and 40 nM, respectively. Extractable from liver and kidney, CYP4A11/CYP4F2-IN-2 has the potential to treat kidney diseases.
Smiles
O(CC1CCN(C(C)=O)CC1)C2=CC=C(N=C2)C=3C=CNN3
Molecular Formula
C16H20N4O2
Molecular Weight
300.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyp4A11/cyp4F2-IN-2
CAS Number2126874-77-7
PubChem CID130360508
IUPAC Name1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
Molecular FormulaC16H20N4O2
Molecular Weight300.36
XLogP1.1
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity371
SMILES
CC(=O)N1CCC(CC1)COC2=CN=C(C=C2)C3=CC=NN3
InChI
InChI=1S/C16H20N4O2/c1-12(21)20-8-5-13(6-9-20)11-22-14-2-3-15(17-10-14)16-4-7-18-19-16/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H,18,19)
InChIKey
GNQGSUOEYQIORN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyp4A11/cyp4F2-IN-2
CAS: 2126874-77-7
CID: 130360508
Formula: C16H20N4O2
MW: 300.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.36
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass300.15862589
Monoisotopic Mass300.15862589
Topological Polar Surface Area71.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity371
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

Alternative Products

CatalogName
HY-151810-01TP0472993

Popular Products