SML1817

BCI-121

≥98% (HPLC)

• 別名: 4-(Aminocarbonyl)-N-(4-bromophenyl)-1-piperidineacetamide, BCI121
• 実験式（ヒル表記法）: C₁₄H₁₈BrN₃O₂
• CAS番号: 432529-82-3
• 分子量: 340.22
• UNSPSCコード: 12352200
• NACRES: NA.77

特性

• 品質水準: 100
• アッセイ: ≥98% (HPLC)
• フォーム: powder
• 色: white to beige
• 溶解性: DMSO: 20 mg/mL, clear
• 保管温度: 2-8°C
• SMILES記法: Brc1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)N
• InChI: 1S/C14H18BrN3O2/c15-11-1-3-12(4-2-11)17-13(19)9-18-7-5-10(6-8-18)14(16)20/h1-4,10H,5-9H2,(H2,16,20)(H,17,19)

詳細

生物化学的／生理学的作用

BCI-121 is a substrate-competitive SMYD3 inhibitor that reduces nuclear histone H3 lys4 di- and tri-methylation level (by 50%/H3K4me2 and 40%H3K4me3 in HT29 cells; 100 μM BCI-121 for 48 h), downregulates known SMYD3 target genes transcription, and selectively affects SMYD3-dependent proliferation of cancer cultures (46%/HT29 and 54%/HCT116 proliferation reduction; 100 μM BCI-121 for 72 h) with little antiproliferation efficacy toward low SMYD3-expressing cancer cells. BCI-121 targets SMYD3 via direct affinity interaction (kon 357.7/M/s; k_off 4.23×10^-3/s; K_D=k_off/k_on = 11.8 μM) and effectively competes against histone for SMYD3 binding (%inhibition/[histone H4 peptide]:[BCI-121] ratio = 36.5%/1:1 and 51.0%/1:2.5).

BCI121 is capable of reducing the mesenchymal signature of MDA-MB-231 cells. It can also decrease their ability to invade in vitro and in vivo.

安全性情報

• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 3