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PEA-NBOMe (hydrochloride)

CAT: 0804-HY-W275220-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W275220-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PEA-NBOMe hydrochloride (Compound 21) is a competitive phenylalanyl-tRNA synthetase (PRS) inhibitor (Ki=0.92 μM), which is found in Escherichia coli. PEA-NBOMe hydrochloride is promising for research of antibacterial or antiviral agents[1].
CAS Number
3241-03-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Aminoacyl-tRNA Synthetase
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-anti-virus
Field of Research
Infection
Smiles
COC1=C(CNCCC2=CC=CC=C2)C=CC=C1.Cl
Molecular Formula
C16H20ClNO
Molecular Weight
277.79
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Anderson RT Jr, et al. Phenylalanyl transfer ribonucleic acid synthetase from Escherichia coli B. Potent inhibition by analogues of N-benzyl-2-phenylethylamine. J Med Chem. 1976 Nov;19 (11) :1270-5.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

(2-Methoxy-benzyl)-phenethyl-amine
CAS Number3241-03-0
PubChem CID1618894
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-phenylethanamine
Molecular FormulaC16H19NO
Molecular Weight241.33
XLogP3.3
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity213
SMILES
COC1=CC=CC=C1CNCCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c1-18-16-10-6-5-9-15(16)13-17-12-11-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKey
UTYSBUBGYZSUPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Methoxy-benzyl)-phenethyl-amine
CAS: 3241-03-0
CID: 1618894
Formula: C16H19NO
MW: 241.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.33
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass241.146664230
Monoisotopic Mass241.146664230
Topological Polar Surface Area21.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity213
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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