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FAAH/cPLA2α-IN-1

CAT: 0804-HY-149654Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-149654Size:1 Each
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Description
FAAH/cPLA2α-IN-1 is a dual inhibitor of FAAH and cPLA2α with IC50s of 32 and 47 nM, respectively[1].
CAS Number
1696401-38-3
UNSPSC
12352005
Target
FAAH; Phospholipase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/faah-cpla2α-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(CCC1=NN(CC(COC2=CC=C(C=C2)OCCCCCC)=O)N=N1)O
Molecular Formula
C19H26N4O5
Molecular Weight
390.43
References & Citations
[1]Ekodo Voundi M, et al. Synthesis, activity and metabolic stability of propan-2-one substituted tetrazolylalkanoic acids as dual inhibitors of cytosolic phospholipase A2α and fatty acid amide hydrolase. RSC Med Chem. 2023 Aug 10;14 (10) :2079-2088.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

FAAH/cPLA2|A-IN-1
CAS Number1696401-38-3
PubChem CID153933366
IUPAC Name3-[2-[3-(4-hexoxyphenoxy)-2-oxopropyl]tetrazol-5-yl]propanoic acid
Molecular FormulaC19H26N4O5
Molecular Weight390.4
XLogP3.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count28
Formal Charge0
Complexity471
SMILES
CCCCCCOC1=CC=C(C=C1)OCC(=O)CN2N=C(N=N2)CCC(=O)O
InChI
InChI=1S/C19H26N4O5/c1-2-3-4-5-12-27-16-6-8-17(9-7-16)28-14-15(24)13-23-21-18(20-22-23)10-11-19(25)26/h6-9H,2-5,10-14H2,1H3,(H,25,26)
InChIKey
KMPUSKXQZPYLMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FAAH/cPLA2|A-IN-1
CAS: 1696401-38-3
CID: 153933366
Formula: C19H26N4O5
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass390.19031994
Monoisotopic Mass390.19031994
Topological Polar Surface Area116 Ų
Heavy Atom Count28
Formal Charge0
Complexity471
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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