N-[(1S)-1-(1H-Benzimidazol-2-yl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-[1,1′-biphenyl]-4-carboxamide trifluoroacetate

产品名称：

BB-Cl-amidine trifluoroacetate salt
N-[(1S)-1-(1H-Benzimidazol-2-yl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-[1,1′-biphenyl]-4-carboxamide trifluoroacetate

产品介绍：

产品说明

生化/生理作用

BB-Cl-amidine is an irreversible pan-protein-arginine deiminase (PAD) inhibitor (k_inact/KI in M^-1min^-1 = 16100/PAD1, 4100/PAD2, 6800/PAD3, 13300/PAD4) with >20-fold increased potency against U2OS osteosarcoma cutlures (viability assay IC50 = 8.8 μM vs >200 μM with Cl-amidine) and longer in vivo half-life (1.75 hrs vs 15 min for Cl-amidine in plasma post injection in mice) than Cl-amidine. BB-Cl-amidine effectively inhibits PMA-induced neutrophils extracellular trap (NET) formation from lupus-prone MRL/lpr mice-derived bone marrow neutrophils in cultures (by 78% and 34% with 20 μM BB-Cl-amidine or Cl-amidine, respectively), while daily s.c. injection (1 mg/kg) is efficacious in ameliorating lupus symptoms in in MRL/lpr mice in vivo.

基本信息

经验(实验)分子式	C₂₆H₂₆ClN₅O · xC₂HF₃O₂
分子量	459.97 (free base basis)
NACRES	NA.77

产品性质

测定	≥98% (HPLC)
形式	powder
储存条件	desiccated
颜色	white to beige
溶解性	DMSO: 2 mg/mL, clear
储存温度	−20℃
SMILES string	O=C(C1=CC=C(C2=CC=CC=C2)C=C1)N[C@H](C3=NC4=C(N3)C=CC=C4)CCCNC(CCl)=N

安全信息

储存分类代码	11 - Combustible Solids
WGK	WGK 3
闪点(F)	Not applicable
闪点(C)	Not applicable