SML2678

A-770041

≥98% (HPLC)

• Synonym(e): A 770041, A770041, N-[4-[1-[trans-4-(4-Acetyl-1-piperazinyl)cyclohexyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methyl-1H-indole-2-carboxamide, trans-KIN 001-111
• Empirische Formel (Hill-System): C₃₄H₃₉N₉O₃
• CAS-Nummer: 869748-10-7
• Molekulargewicht: 621.73
• MDL-Nummer: MFCD24873124
• UNSPSC-Code: 12352200
• NACRES: NA.77

Eigenschaften

• Assay: ≥98% (HPLC)
• Form: powder
• Farbe: white to beige
• Löslichkeit: DMSO: 2 mg/mL, clear
• Lagertemp.: −20°C
• SMILES String: NC1=NC=NC2=C1C(C3=CC=C(NC(C4=CC(C=CC=C5)=C5N4C)=O)C(OC)=C3)=NN2[C@@H]6CC[C@@H](N7CCN(C(C)=O)CC7)CC6
• InChI: 1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)
• InChIKey: ZMNWFTYYYCSSTF-UHFFFAOYSA-N

Beschreibung

Biochem./physiol. Wirkung

A-770041 is an orally available (rat F = 34.1%; 10 mg/kg p.o.), ATP-competitive, potent and selctive Lck inhibtor (IC50 = 147 nM/Lck, 1.18 μM/Lyn, 1.22 μM/Hck, 9.05 μM/Src, 14.1 μM/Fgr, 44.1 μM/Fyn; >25 μM/IKK1, IKK2, IRAK4, p38, JAK3, ZAP70, ITK, PKC, MK2, PKA, TYK2, COT,Syk; >50 μM/Tie-2 & Kdr; 1 mM ATP). A-770041 inhibits CD3 mAb-induced IL-2 production in human whole blood in vitro (IC 50 = 80 nM) and in mice in vivo (IC50 = 78 nM plasma conc.), and significantly lengthens graft survival time in a rat heterotopic heart transplant model (2.5 & 5 mg/kg bid p.o.).

Sicherheitshinweise

• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable