SML2446

TC-A2317 hydrochloride

≥98% (HPLC)

• 同義詞: 2-[(5-Hydroxy-1,5-dimethylhexyl)amino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-pyridinecarbonitrile hydrochloride
• 經驗公式（希爾表示法）: C₁₉H₂₈N₆O · HCl
• CAS號碼: 1245907-03-2
• 分子量：: 392.93
• MDL號碼: MFCD19690936
• 分類程式碼代碼: 12352200
• NACRES: NA.77

屬性

• 化驗: ≥98% (HPLC)
• 形狀: powder
• 顏色: white to beige
• 溶解度: DMSO: 2 mg/mL, clear
• 儲存溫度: −20°C
• SMILES 字串: CC1=CC(NC2=NNC(C)=C2)=NC(NC(C)CCCC(C)(C)O)=C1C#N.Cl
• InChI: 1S/C19H28N6O.ClH/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26;/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25);1H
• InChI 密鑰: DXVATYHPJJPMIN-UHFFFAOYSA-N

描述

生化／生理作用

Orally active, potent and selective aurora A kinase inhibitor with anti-cancer activity in vitro and in vivo.

TC-A2317 (TC-A 2317) is an orally active, potent and selective aurora A kinase inhibitor (Ki = 1.2 nM; Aurora B Ki = 101 nM; IC50 >1 μM toward 60 other kinases). TC-A2317 inhibits the proliferation of human colorectal carcinoma HCT116 cells in cultures (IC50 = 115 nM) and suppresses HCT116 xenograft-derived tumor growth in mice in vivo (by 59% on day 14; 30 mg/kg/day p.o.) with good pharmacokinectic properties, oral bioavailability (T_max = 1.2 h, T1/2 = 3.3 h, C_max = 4930 nM, C60 min = 52 nM in rat serum post 30 mg/kg p.o.), and no adverse effects to the animals. TC-A231 is a racemate with its (S)-enantiomer being more active than the (R)-enantiomer (respective Ki = 0.59 vs. 66 nM).

安全資訊

• 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