Talarozole - Moligand™, ≥99% , Inhibitor of CYP26A1, CAS No.201410-53-9, Inhibitor of CYP26A1

CAS: 201410-53-9 Cat. No.: T126654 Fórmula: C₂₁H₂₃N₅S Peso molecular: 377.51 PubChem CID: 9799888

GRAU & PUREZA Moligand™, ≥99%

Synonyms

3-di-n-butylaminopropyl chloride | BCP28256 | N-(4-((1RS)-2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzothiazol-2-amine | Rambazole | DTXSID70942185 | DTXSID40871953 | HY-14531 | N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-am

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

3-di-n-butylaminopropyl chloride | BCP28256 | N-(4-((1RS)-2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzothiazol-2-amine | Rambazole | DTXSID70942185 | DTXSID40871953 | HY-14531 | N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-am

Especificações e pureza

Moligand™, ≥99%

Mecanismos bioquímicos e fisiológicos

Description: IC50 Value:N/A Talarozole is a potent and selective inhibitor of cytochrome P450 26-mediated breakdown of endogenous all-trans retinoic acid for the treatment of psoriasis and acne[2]. in vitro: Talarozole treatment increased

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of CYP26A1

Pureza

≥99%

Propriedades do produto

ALogP

6

Nomes e identificadores

Sorrisos canónicos

CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=NC=N4

IUPAC Name

N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine

InChIKey

SNFYYXUGUBUECJ-UHFFFAOYSA-N

INCHI

1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)

SMILES isoméricas

CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=NC=N4

PubChem CID

9799888

Peso molecular

377.51

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: Aniline and substituted anilines 2-amino-1,3-thiazoles Triazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - 1,2,4-triazole - Heteroaromatic compound - Secondary amine - Azacycle - Organonitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

CYP26A1 Tchem Cytochrome P450 26A1 (1 Activities)

Discover Target: CYP26A1

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

CYP26B1 Tchem Cytochrome P450 26B1 (1 Activities)

Discover Target: CYP26B1

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

HepG2 (196354 Activities)

Explore this target

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

CYP26A1 Tchem Cytochrome P450 26A1 (308 Activities)

Discover Target: CYP26A1

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

CYP26B1 Tchem Cytochrome P450 26B1 (25 Activities)

Discover Target: CYP26B1

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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 25°C: DMSO
• Peso molecular: 377.500 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 377.167 Da
• Monoisotopic Mass: 377.167 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 452.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1