SML2898

Rupatadine fumarate

≥98% (HPLC)

• 别名: 8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (E)-2-butenedioate (1:1), 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-, (E)-2-butenedioate (1:1), UR 12592 fumarate, UR-12592 fumarate, UR12592 fumarate
• 经验公式（希尔记法）: C₂₆H₂₆ClN₃ · C₄H₄O₄
• CAS号: 182349-12-8
• 分子量: 532.03
• MDL號碼: MFCD00926499
• 分類程式碼代碼: 51111800
• NACRES: NA.77

属性

• 品質等級: 100
• 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: Clc1cc2c(cc1)C(=C4CCN(CC4)Cc5cncc(c5)C)c3ncccc3CC2.OC(=O)\C=C\C(=O)O
• InChI: 1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChI 密鑰: JYBLCDXVHQWMSU-WLHGVMLRSA-N

说明

生化／生理作用

Rupatadine (UR-12592) is an orally active, dual histamine H1 and platelet-activating factor (PAF) receptor antagonist (K_i(app) = 100/550 nM against pyrilamine/WEB2086 binding to guinea pig cerebellum/rabbit platelet membranes) that inhibits histamine-induced guinea pig ileum contraction (pA2 = 9.29) and PAF-induced platelet aggregation (IC₅₀ = 0.68 μM/human PRP). Rupatadine blocks histamine-/PAF-induced hypotension (ID₅₀ = 1.4/0.44 mg/kg i.v. rats) and bronchoconstriction (ID₅₀ = 113/9.6 μg/kg i.v. guinea pigs), as well as prevents mortality caused by PAF (ID₅₀ = 0.31 mg/kg i.v. or 3.0 mg/kg p.o. mice) and endotoxin (mice/rats ID₅₀ = 1.6/0.66 mg/kg i.v.) in vivo.

安全信息

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H302
• 防範說明: P264 - P270 - P301 + P312 - P501
• 危險分類: Acute Tox. 4 Oral
• 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