Flutemetamol , CAS No.637003-10-2

CAS: 637003-10-2 Cat. No.: F669067 Formula: C₁₄H₁₁FN₂OS Peso molecolare: 274.32 PubChem CID: 10107393

Synonyms

Flutemetamol | [3H]-Flutemetamol | 2-[3-Fluoro-4-(methylamino)phenyl]-6-hydroxybenzothiazole | 0F3M7032P5 | UNII-0F3M7032P5 | 2-(3-Fluoro-4-(methylamino)phenyl)-1,3-benzothiazol-6-ol | 2-(3-fluoro-4-(methylamino)phenyl)benzo[d]thiazol-6-ol | BDBM50481120

Storage

Room temperature

Specifications

Sinonimi

Flutemetamol | [3H]-Flutemetamol | 2-[3-Fluoro-4-(methylamino)phenyl]-6-hydroxybenzothiazole | 0F3M7032P5 | UNII-0F3M7032P5 | 2-(3-Fluoro-4-(methylamino)phenyl)-1,3-benzothiazol-6-ol | 2-(3-fluoro-4-(methylamino)phenyl)benzo[d]thiazol-6-ol | BDBM50481120

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

ALogP

3.8

Nomi e identificatori

Sorrisi canonici

CNC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)F

IUPAC Name

2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol

InChIKey

VVECGOCJFKTUAX-UHFFFAOYSA-N

INCHI

1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3

Isomeri SMILES

CNC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)F

PubChem CID

10107393

Peso molecolare

274.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Aniline or substituted anilines - Phenylalkylamine - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Secondary amine - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Obiettivi associati (umani)

APP Tclin Amyloid-beta A4 protein (2 Activities)

Discover Target: APP

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 274.320 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 274.058 Da
• Monoisotopic Mass: 274.058 Da
• Topological Polar Surface Area: 73.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 320.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 637003-10-2, the molecular formula is C14H11FN2OS, and the molecular weight is 274.32 g/mol. InChIKey VVECGOCJFKTUAX-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.