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5-Benzyloxygramine

CAT: 0931-T35841Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T35841Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1453-97-0
Target
5-HT Receptor, Dopamine Receptor, Antibiotic
Related Pathways
Microbiology/Virology, Neuroscience, GPCR/G Protein
Purity
0.9913
Bioactivity
5-Benzyloxygramine is an N protein PPI orthosteric stabilizer that exhibits both antiviral and N-NTD protein-stabilizing activities. It stabilizes the N-NTD dimers through simultaneous hydrophobic interactions with both partners, resulting in abnormal N protein oligomerization, which was further confirmed in cell studies[1]. [1]. Shan-Meng Lin, et al. Structure-Based Stabilization of Non-native Protein-Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design. J Med Chem. 2020 Mar 26;63 (6) :3131-3141.
Smiles
CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
Molecular Formula
C18H20N2O
Molecular Weight
280.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CAS Number1453-97-0
PubChem CID73814
IUPAC NameN,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
Molecular FormulaC18H20N2O
Molecular Weight280.4
XLogP3.4
Topological Polar Surface Area28.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity314
SMILES
CN(C)CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
InChIKey
POTVAILTNPOQJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CAS: 1453-97-0
CID: 73814
Formula: C18H20N2O
MW: 280.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight280.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass280.157563266
Monoisotopic Mass280.157563266
Topological Polar Surface Area28.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity314
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