Tubacin (CAS 537049-40-4)

物理状态 :

Solid

溶解度 :

Soluble in DMSO (10 mM).

保存 :

Store at -20° C

密度 :

~1.3 g/cm³ (Predicted)

折射率 :

n²⁰_D 1.67 (Predicted)

光学活性 :

α20_D -54.9, c = 0.44 in methanol

IC50 :

Histone deacetylase 6: IC₅₀ = 13 nM (human); Histone deacetylase 1: IC₅₀ = 240 nM (human); Histone deacetylase 2: IC₅₀ = 260 nM (human); Histone deacetylase 3: IC₅₀ = 630 nM (human); Histone deacetylase 4: IC₅₀ = 450 nM (human); Histone deacetylase 5: IC₅₀ = 450 nM (human); Histone deacetylase 7: IC₅₀ = 450 nM (human); Histone deacetylase 8: IC₅₀ = 5 µM (human); Histone deacetylase HD2: IC₅₀ = 2 µM (Zea mays); Histone deacetylase 6: EC₅₀50 = 2.9 µM (human); Histone deacetylase 1: EC₅₀50 = 217 µM (human)

Ki 数据 :

Histone deacetylase 1: K_i= 28 nM (human); Histone deacetylase 2: K_i= 42 nM (human); Histone deacetylase 3: K_i= 275 nM (human); Histone deacetylase 4: K_i= 17 µM (human); Histone deacetylase 5: K_i= 1.5 µM (human); Histone deacetylase 6: K_i= 16 nM (human); Histone deacetylase 7: K_i= 8.5 µM (human); Histone deacetylase 8: K_i= 170 nM (human); Histone deacetylase 9: K_i= 6.3 µM (human)

pK值 :

pK_a: 9.48 (Predicted), pK_b: 0.25 (Predicted)

PubChem CID :

MDL 号码 :

MFCD18804186

SMILES :

C1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC