Zibotentan (ZD4054) , ≥98% , 186497-07-4

CAS NO.：186497-07-4

Empirical Formula: C19H16N6O4S

Molecular Weight: 424.43

MDL number:

PRODUCT Properties

• Melting point: 239 - 241°C
• Boiling point: 637.0±65.0 °C(Predicted)
• Density: 1.422
• storage temp.: Sealed in dry,Store in freezer, under -20°C
• solubility: DMSO (Sparingly), Methanol (Slightly)
• form: Solid
• pka: 5.62±0.40(Predicted)
• color: White to Off-White
• 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)
• InChIKey: FJHHZXWJVIEFGJ-UHFFFAOYSA-N
• SMILES: O=S(C1=C(C2=CC=C(C3=NN=CO3)C=C2)N=CC=C1)(NC4=NC=C(C)N=C4OC)=O

Description and Uses

Zibotentan is a selective antagonist of the endothelin (ET) receptor type A (IC₅₀s = 21 and >10,000 nM for human recombinant ET_A and ET_B, respectively). It inhibits growth of HEY, OVCA 433, SKOV3, and A2780 cells induced by endothelin 1 (ET-1; ) in vitro. Zibotentan reduces ET-1-induced expression of MMP-2, MMP-9, VEGF, COX-1 and COX-2, mediators of cell invasion and angiogenesis, in HEY cells. In vivo, zibotentan (10-50 mg/kg per day) reduces tumor growth in an HEY mouse xenograft model in a dose-dependent manner. Formulations containing zibotentan are under clinical investigation for the treatment of ovarian and castration-resistant prostate cancers.

Zibotentan is a specific endothelin-A receptor antagonist that is a potential candidate in the treatment of prostate cancer, bone metastasis and various other types of cancer.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P301+P312+P330
• WGK Germany: WGK 3
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral