PiB - Moligand™, ≥95% , CAS No.566169-93-5

CAS: 566169-93-5 Cat. No.: M589504 Fórmula: C₁₄H₁₂N₂OS Peso molecular: 256.32

CALIDAD & PUREZA Moligand™, ≥95%

Synonyms

2-(4'-methylaminophenyl)-6-hydroxybenzothiazole | 2-[4-(Methylamino)phenyl]benzo[d]thiazol-6-ol | [3H]2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol | BDBM50129793

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Especificaciones

Sinónimos

2-(4'-methylaminophenyl)-6-hydroxybenzothiazole | 2-[4-(Methylamino)phenyl]benzo[d]thiazol-6-ol | [3H]2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol | BDBM50129793

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -20°C,Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528766759

Sonrisas canónicas

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

IUPAC Name

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

InChIKey

ZQAQXZBSGZUUNL-UHFFFAOYSA-N

INCHI

1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3

Isómeros SMILES

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

Peso molecular

256.32

Reaxy-Rn

9488986

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9488986&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

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

Objetivos asociados (humanos)

SULT1A1 Tchem Sulfotransferase 1A1 (2 Activities)

Discover Target: SULT1A1

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

APP Tclin Amyloid-beta A4 protein (15 Activities)

Discover Target: APP

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

SULT2A1 Tbio Alcohol sulfotransferase (89 Activities)

Discover Target: SULT2A1

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

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

Liver (3974 Activities)

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

Objetivos asociados (no humanos)

SULT1E1 Estrogen sulfotransferase (8 Activities)

Discover Target: SULT1E1

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

Blood (6 Activities)

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

Cerebellum (165 Activities)

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

Intestine (514 Activities)

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

Kidney (1278 Activities)

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 256.320 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 256.067 Da
• Monoisotopic Mass: 256.067 Da
• Topological Polar Surface Area: 73.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 281.000
• 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