inhibitor E18 - Moligand™ , Inhibitor of B⁰AT1, CAS No.1843-22-7, Inhibitor of B⁰AT1

CAS: 1843-22-7 Cat. No.: I611074 EC番号: 853-849-1 PubChem CID: 234669

GRADE & PURITY Moligand™

Synonyms

EN300-02760 | AB00712360-01 | NSC34958 | NSC-34958 | benzothiazol-2-yl-(2-methoxyphenyl)amine | Benzothiazol-2-yl-(2-methoxy-phenyl)-amine | BAA84322 | SCHEMBL1818561 | Enamine_002995 | GTPL11228 | inhibitor E18 | N-(2-Methoxyphenyl)benzo[d]thiazol-2-amin

Storage

Room temperature

Specifications

同義語

EN300-02760 | AB00712360-01 | NSC34958 | NSC-34958 | benzothiazol-2-yl-(2-methoxyphenyl)amine | Benzothiazol-2-yl-(2-methoxy-phenyl)-amine | BAA84322 | SCHEMBL1818561 | Enamine_002995 | GTPL11228 | inhibitor E18 | N-(2-Methoxyphenyl)benzo[d]thiazol-2-amin

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of B⁰AT1

名前と識別子

• カノニカル・スマイル: COc1ccccc1Nc1nc2c(s1)cccc2
• IUPAC Name: N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
• InChIKey: OAXDBPDAUUFQFJ-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2OS/c1-17-12-8-4-2-6-10(12)15-14-16-11-7-3-5-9-13(11)18-14/h2-9H,1H3,(H,15,16)
• 異性体SMILES: COC1=CC=CC=C1NC2=NC3=CC=CC=C3S2
• PubChem CID: 234669

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Ether - Secondary amine - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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）

SLC6A19 Tchem Sodium-dependent neutral amino acid transporter B(0)AT1 (0 Activities)

Discover Target: SLC6A19

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

化学的性質と物理的性質

• 分子量: 256.320 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 256.067 Da
• Monoisotopic Mass: 256.067 Da
• Topological Polar Surface Area: 62.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• 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 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 room temperature.

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

The CAS Number is 1843-22-7. InChIKey OAXDBPDAUUFQFJ-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.