Zibotentan (ZD4054) - Moligand™, ≥98% , Endothelin receptor ET-A antagonist, CAS No.186497-07-4, Endothelin receptor ET-A antagonist

CAS: 186497-07-4 Cat. No.: Z125040 Peso molecular: 424.43 Número EC: 643-052-5 PubChem CID: 9910224

GRADE & PURITY Moligand™, ≥98%

Synonyms

C19H16N6O4S | DB06629 | PDSP2_001599 | BROMPERIDOL DECANOATE [USP-RS] | Zibotentan [USAN:INN:JAN] | 3-Pyridinesulfonamide, N-(3-methoxy-5-methylpyrazinyl)-2-(4-(1,3,4-oxadiazol-2-yl)phenyl)- | NCGC00242479-03 | 3-PYRIDINESULFONAMIDE, N-(3-METHOXY-5-METHYL

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Zibotentan has been found to inhibit cell proliferation, invasion and metastasis in cancer models. In clinical trials on patients with castration-resistant prostate cancer and bone metastasis, who were pain-free or had mild pain, zibotentan treatment resulted in better overall survival as compared to placebo.Zibotentan is a potent and selective endothelin ET(A) receptor antagonist with an IC50 of 21 nM for the ETA receptor subtype and no binding observed even at 10,000 nM for ETB.

Specifications

Sinónimos

C19H16N6O4S | DB06629 | PDSP2_001599 | BROMPERIDOL DECANOATE [USP-RS] | Zibotentan [USAN:INN:JAN] | 3-Pyridinesulfonamide, N-(3-methoxy-5-methylpyrazinyl)-2-(4-(1, 3, 4-oxadiazol-2-yl)phenyl)- | NCGC00242479-03 | 3-PYRIDINESULFONAMIDE, N-(3-METHOXY-5-METHYL

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Zibotentan has been found to inhibit cell proliferation, invasion and metastasis in cancer models. In clinical trials on patients with castration-resistant prostate cancer and bone metastasis, who were pain-free or had mild pain, zibotentan treatment resu

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Endothelin receptor ET-A antagonist

Pureza

≥98%

Propiedades del producto

• ALogP: 1.4

Nombres e identificadores

• Sonrisas canónicas: CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4
• IUPAC Name: N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide
• InChIKey: FJHHZXWJVIEFGJ-UHFFFAOYSA-N
• INCHI: 1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)
• Isómeros SMILES: CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4
• RTECS: UT7937700
• PubChem CID: 9910224
• Peso molecular: 424.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyridinesulfonamides Methoxypyrazines Alkyl aryl ethers Organosulfonamides Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Aminosulfonyl compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Pyridine-3-sulfonamide - Methoxypyrazine - Alkyl aryl ether - Pyrazine - Organosulfonic acid amide - Benzenoid - Imidolactam - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Azole - Oxadiazole - Heteroaromatic compound - 1,3,4-oxadiazole - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

EDNRA Tclin Endothelin-1 receptor (2 Activities)

Discover Target: EDNRA

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

EDNRB Tclin Endothelin receptor ET-B (1928 Activities)

Discover Target: EDNRB

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

EDNRA Tclin Endothelin receptor ET-A (5008 Activities)

Discover Target: EDNRA

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

Objetivos asociados (no 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 acción

Propiedades químicas y físicas

• Solubilidad: DMSO ≥12mg/mL Water <1.2mg/mL Ethanol <1.2mg/mL
• Peso molecular: 424.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 424.095 Da
• Monoisotopic Mass: 424.095 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 654.000
• 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