SN 2 - Moligand™, ≥98%(HPLC) , Activator of TRPML3, CAS No.823218-99-1, Activator of TRPML3

CAS: 823218-99-1 Cat. No.: S287484 Molecular Weight: 255.35 PubChem CID: 11834987

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

GTPL6402 | Q27088829 | 5-mesityl-3-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-ene | 5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.0?,?]dec-4-ene | 5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene | AE-842/34023054 | SN 2 | DTXSID50133663

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

SN 2 is a potent activator of TRPML3 ion channel with an EC50 of 1.8 μM. SN 2 also acts as a potent inhibitor of Dengue virus 2 (DENV2) and Zika virus (ZIKV).

Specifications

Synonyms

GTPL6402 | Q27088829 | 5-mesityl-3-oxa-4-azatricyclo[5.2.1.0~2, 6~]dec-4-ene | 5-(2, 4, 6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.0?, ?]dec-4-ene | 5-(2, 4, 6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02, 6]dec-4-ene | AE-842/34023054 | SN 2 | DTXSID50133663

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective TRPML3 channel activator (EC50= 1.13μM).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of TRPML3

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488197778
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197778
• Canonical Smiles: CC1=CC(=C(C(=C1)C)C2=NOC3C2C4CCC3C4)C
• IUPAC Name: 5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
• InChIKey: WKLZNTYMDOPBSE-UHFFFAOYSA-N
• 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
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)C2=NOC3C2C4CCC3C4)C
• Alternate CAS: 823218-99-1
• PubChem CID: 11834987
• Molecular Weight: 255.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Benzene and substituted derivatives Isoxazolines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic monoterpenoid - Benzenoid - Monocyclic benzene moiety - Isoxazoline - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MCOLN3 Tchem Mucolipin-3 (2 Activities)

Discover Target: MCOLN3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCOLN3 Tchem MCOLN3 protein (319 Activities)

Discover Target: MCOLN3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

nompc Ion channel NompC (277 Activities)

Discover Target: nompc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 25.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 25.53, Max Conc. mM: 100
• Molecular Weight: 255.350 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 255.162 Da
• Monoisotopic Mass: 255.162 Da
• Topological Polar Surface Area: 21.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 392.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1