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Acetylhydrolase-IN-1

CAT: 0804-HY-102054Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-102054Size:1 Each
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Description
Acetylhydrolase-IN-1 is a 1-Alkyl-2-acetylglycerophosphocholine esterase (Alkylacetyl-GPC: acetylhydrolase) inhibtor.
CAS Number
79637-91-5
UNSPSC
12352211
Target
FAAH
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Acetylhydrolase-IN-1.html
Solubility
10 mM in DMSO
Smiles
O=C(O[C@@H](COP(O)(OCCN)=O)COCCCCCCCCCCCCCCCC)C
Molecular Formula
C23H48NO7P
Molecular Weight
481.60
References & Citations
[1]Dietmar Schomburg, et al. 1-Alky l-2-acetylglycerophosphocholine esterase. Enzyme Handbook 3 pp 199-201.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-Hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine

1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine is a 2-acyl-1-alkyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and acetyl respectively. It is functionally related to an acetic acid. It is a tautomer of a 1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine zwitterion.

CAS Number79637-91-5
PubChem CID86289571
IUPAC Name[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] acetate
Molecular FormulaC23H48NO7P
Molecular Weight481.6
XLogP3.3
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count25
Heavy Atom Count32
Formal Charge0
Complexity479
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)C
InChI
InChI=1S/C23H48NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28-20-23(31-22(2)25)21-30-32(26,27)29-19-17-24/h23H,3-21,24H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKey
LEBRETLBLINJDM-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of 1-Hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine
CAS: 79637-91-5
CID: 86289571
Formula: C23H48NO7P
MW: 481.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count25
Exact Mass481.31683987
Monoisotopic Mass481.31683987
Topological Polar Surface Area117 Ų
Heavy Atom Count32
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T13529-01Acetylhydrolase-IN-1
A20063-100Acetylhydrolase-IN-1 100mg
A20063-50Acetylhydrolase-IN-1 50mg
A20063-1Acetylhydrolase-IN-1 1mg
A20063-25Acetylhydrolase-IN-1 25mg
A20063-10Acetylhydrolase-IN-1 10mg
A20063-5Acetylhydrolase-IN-1 5mg
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