SML4040

Danusertib

≥98% (HPLC)

• Synonym(e): PHA739358, 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2R)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide, 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2R)-methoxyphenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]-benzamide, N-[5-((2R)-2-Methoxy-2-phenylethanoyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide, N-[5-(2R)-2-Methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo [3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-benzamide, PHA 739358, PHA-739358
• Empirische Formel (Hill-System): C₂₆H₃₀N₆O₃
• CAS-Nummer: 827318-97-8
• Molekulargewicht: 474.55
• MDL number: MFCD35089549
• NACRES: NA.21
• UNSPSC Code: 12352200
• Assay: ≥98% (HPLC)
• Form: powder

Eigenschaften

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: -10 to -25°C
• SMILES string: O=C(C1=CC=C(N2CCN(CC2)C)C=C1)NC3=NNC4=C3CN(C([C@@H](C5=CC=CC=C5)OC)=O)C4
• InChI: 1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
• InChI key: XKFTZKGMDDZMJI-HSZRJFAPSA-N

Beschreibung

Biochem/physiol Actions

Potent ATP site-targeting kinase inhibitor against aurora A/B/C, FGFR1, Abl, Ret, and TrkA with anti-cancer efficacy in cultures and in vivo.
Danusertib (PHA-739358) is a potent ATP site-targeting aurora kinase inhibitor (IC50 = 13 nM/A, 79 nM/B, 61 nM/C; [ATP] = 2 Km, [substrate] = 5 Km) with additional potency against FGFR1, Abl, Ret, and TrkA (IC50 = 47, 25, 31, 31 nM, respectively; [ATP] = 2 Km, [substrate] = 5 Km). Danusertib exhibits antiproliferation activity in cancer cultures (IC50 20-300 nM among 15 cancer cell lines) and antitumor efficacy in mice with human cancer xenografts in vivo via i.v. (30 mg/kg q.d. or b.i.d.) or i.p. (15 mg/kg b.i.d.).

Sicherheitshinweise

• Lagerklasse: 11 - Combustible Solids
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable