SML2255

BI-2545

≥98% (HPLC)

• 别名: (1R,5S,6S)-3,5-bis(Trifluoromethyl)benzyl 6-((1H-benzo[d][1,2,3]triazole-5-carboxamido)methyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate, [3,5-bis(Trifluoromethyl)phenyl]methyl (1R,5S,6S)-6-{[(1H-1,2,3-benzotriazol-5-yl)formamido]methyl}-3-azabicyclo[3.1.0]hexane-3-carboxylate
• 经验公式（希尔记法）: C₂₃H₁₉F₆N₅O₃
• CAS号: 2162961-71-7
• 分子量: 527.42
• 分類程式碼代碼: 41106609

属性

• 化驗: ≥98% (HPLC)
• 形狀: powder
• 顏色: white to beige
• 溶解度: DMSO: 2 mg/mL, clear
• 儲存溫度: 2-8°C
• SMILES 字串: O=C(N1C[C@]2([H])[C@@H](CNC(C3=CC=C(NN=N4)C4=C3)=O)[C@]2([H])C1)OCC5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5
• InChI: 1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16-,17+
• InChI 密鑰: ZDOBSAPHUUUOHX-OSYLJGHBSA-N

说明

生化／生理作用

Autotaxin (ATX; ENPP2) inhibitor with improved potency, oral availability, and lysophosphatidic acid (LPA)-lowering efficacy in rats than PF-8380.

BI-2545 is a PF-8380 structure analog with improved autotaxin (ATX; ENPP2) inhibitory potency (human/rat ATX IC50 = 2.2/3.4 nM, IC50 = 29/96 nM using human/rat whole blood (WB); human ATX/rat ATX/rat WB IC50 = 6.5/13/307 nM with PF-8380), in vivo pharmacokinetic profile, oral availability, and lysophosphatidic acid (LPA)-lowering efficacy (BI-2545 Cmax/AUC/T1/2/Max 18:2 LPA reduction = 140 nM/675 nM•h/3.4 h/90.4% post 10 mg/kg p.o. in rats vs. 60.3 nM/342 nM•h/2.5 h/32.2% with PF-8380). BI-2545 exhibits no hERG inhibitory activity (IC50 >10 μM vs. 480 nM with PF-8380) and displays significant cross-reactivity towards only 4 targets among a panel of 48 enzymes/receptors/transporters/channel proteins at a high concentration of 10 μM (55%, 80%, 66%, 61% inhibtion of 5-HT2a, L-type Calcium channel, Na+ channel site 2, and norepinephrine transporter, respectively).

安全信息

• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable