5-Benzyloxygramine is an in-situ stabilizer of N protein and protein interaction, and has antiviral and stabilizing functions of N-NTD protein.

Physicochemical Properties

Molecular Formula	C18H20N2O
Molecular Weight	280.36
Exact Mass	280.158
CAS #	1453-97-0
PubChem CID	73814
Appearance	Off-white to light yellow solid powder
Density	1.153g/cm3
Boiling Point	442.3ºC at 760mmHg
Melting Point	137-139 °C(lit.)
Flash Point	221.3ºC
Vapour Pressure	5.06E-08mmHg at 25°C
LogP	3.808
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	21
Complexity	314
Defined Atom Stereocenter Count	0
SMILES	C(OC1=CC=C2C(C(CN(C)C)=CN2)=C1)C1C=CC=CC=1
InChi Key	POTVAILTNPOQJH-UHFFFAOYSA-N
InChi Code	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
Chemical Name	N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	5-benzyloxygramine causes aberrant N protein oligomerization, which has been further validated in the cell, by stabilizing the N-NTD dimers through concurrent hydrophobic contacts with both partners[1].
References	[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.

Solubility Data

Solubility (In Vitro)

DMSO : 250 mg/mL (891.71 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.42 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (7.42 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (7.42 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.5668 mL	17.8342 mL	35.6684 mL
	5 mM	0.7134 mL	3.5668 mL	7.1337 mL
	10 mM	0.3567 mL	1.7834 mL	3.5668 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.