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SN 2

CAT: 0804-HY-16696-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16696-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SN 2 is a potent activator of TRPML3 ion channel with an EC50 of 1.8 μM[1]. SN 2 also acts as a potent inhibitor of Dengue virus 2 (DENV2) and Zika virus (ZIKV) [2].
CAS Number
823218-99-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Dengue Virus; Flavivirus; TRP Channel
Type
Reference compound
Related Pathways
Anti-infection; Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/SN-2.html
Purity
99.93
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C=C(C)C=C1C)=C1C2=NOC3C2C4CC3CC4
Molecular Formula
C17H21NO
Molecular Weight
255.35
Precautions
H302, H315, H319, H335
References & Citations
[1]Grimm C, et al. Small molecule activators of TRPML3. Chem Biol. 2010 Feb 26;17 (2) :135-48.|[2]Zhiqiang Xia, et al. ML-SA1, a selective TRPML agonist, inhibits DENV2 and ZIKV by promoting lysosomal acidification and protease activity. Antiviral Res. 2020 Aug 26;104922.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Mesityl-3a,4,5,6,7,7a-hexahydro-4,7-methanobenzo[d]isoxazole
CAS Number823218-99-1
PubChem CID11834987
IUPAC Name5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
Molecular FormulaC17H21NO
Molecular Weight255.35
XLogP4.3
Topological Polar Surface Area21.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity392
SMILES
CC1=CC(=C(C(=C1)C)C2=NOC3C2C4CCC3C4)C
InChI
InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3
InChIKey
WKLZNTYMDOPBSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Mesityl-3a,4,5,6,7,7a-hexahydro-4,7-methanobenzo[d]isoxazole
CAS: 823218-99-1
CID: 11834987
Formula: C17H21NO
MW: 255.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.35
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass255.162314293
Monoisotopic Mass255.162314293
Topological Polar Surface Area21.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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