BAY-850

Jeneng Kimia:

N-((R)-1-(((1s,4S)-4-aminocyclohexyl)amino)-3-(4-cyanophenyl)propan-2-yl)-2-chloro-4-methoxy-5-(5 -((((R)-1-(p-tolyl)etil)amino)metil)furan-2-yl)benzamide

Kode SMILES:

ClC(C(C(N[C@H](CC1=CC=C(C#N)C=C1)CN[C@@H]2CC[C@H](N)CC2)=O)=C3 )=CC(OC)=C3C(O4)=CC=C4CN[C@H](C)C5=CC=C(C)C=C5

Kode Inchi:

InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(35) 39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12- 29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H ,44,45)/t25-,29-,30+,31-/m1/s1

Kunci InChi:

BSISGUIVBKDTQO-QIKYYPRYSA-N

tembung kunci:

BAY-850; BAY850; BANYUWANGI 850

Kelarutan:DMSO

Panyimpenan: 

katrangan:

"BAY-850 minangka probe kimia kanggo bromodomain ATAD2A sing ngganti peptida H4 asetilasi saka bromodomain ATAD2 kanthi nilai IC50 20 nM (HTRF). Pangukuran MST lan BROMOscan nuduhake Kd saka 84,9 nM lan 120 nM, mungguh. BAY- 850 nampilake selektivitas sing apik ing kabeh bromodomain liyane (ora ana hit ing BROMOscan ing 10 µM) lan ngganti ATAD2 lengkap saka kromatin ing sel urip kanthi konsentrasi 1 µM sing ditemtokake dening FRAP Kanggo ngindhari konsentrasi efek sing ora spesifik saka target ≥ 5 µM ora dianjurake (http://www.thesgc.org/chemical-probes/BAY-850) "

Target: probe kimia kanggo bromodomain ATAD2A