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

CAS: 823218-99-1 Cat. No.: S287484 分子式: C₁₇H₂₁NO 分子量: 255.35 PubChem CID: 11834987

グレード＆純度 Moligand™, ≥98%(HPLC)

Synonyms

5-mesityl-3-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-ene|5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene|SN 2|3a,4,5,6,7,7a-Hexahydro-3-(2,4,6-trimethylphenyl)-4,7-methano-1,2-benzisoxazole|5-Mesityl-3-oxa-4-azatricyclo[5.2.1.0(2,6)]dec-4-ene|SN-2|5-mesityl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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).

仕様

同義語

5-mesityl-3-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-ene | 5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene | SN 2 | 3a,4,5,6,7,7a-Hexahydro-3-(2,4,6-trimethylphenyl)-4,7-methano-1,2-benzisoxazole | 5-Mesityl-3-oxa-4-azatricyclo[5.2.1.0(2,6)]dec-4-ene | SN-2 | 5-mesityl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

Selective TRPML3 channel activator (EC50= 1.13μM).

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ACTIVATOR

作用メカニズム

Activator of TRPML3

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

488197778

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488197778

カノニカル・スマイル

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

異性体SMILES

CC1=CC(=C(C(=C1)C)C2=NOC3C2C4CCC3C4)C

代替CAS番号

823218-99-1

PubChem CID

11834987

分子量

255.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 25.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 25.53, Max Conc. mM: 100
• 分子量: 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 823218-99-1, the molecular formula is C??H??NO, and the molecular weight is 255.35 g/mol. InChIKey WKLZNTYMDOPBSE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.