CAS: 881681-00-1; 1-(5-(2-Fluorophenyl)-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrol-3-yl)-N-Methylmethanamine

• 英文名称1-(5-(2-Fluorophenyl)-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrol-3-yl)-N-Methylmethanamine
• 中文名称凡诺帕胺
• IUPAC名称1-(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine
• CAS编号881681-00-1
• MFCD编号:MFCD27987913
• FDA UNII编号:1R5L3J156G
• 分子式:C17H16FN3O2S
• 分子量:345.39
• 产品CID: 1890946
• 同类组份化合物CAS881681-00-1 (free base)1260141-27-2 (fumarate)881681-01-2 (fumarate)1957202-44-6 (HCl)2416241-93-3 (HBr)1957202-36-6 (mesylate)3110125-89-5 (tosylate)
• 产品分类原料药 → 消化系统用药 → 抗酸及胃黏膜保护药

• 相似结构搜索
• InChIKey: BFDBKMOZYNOTPK-UHFFFAOYSA-N
• InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3…
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数5.0

物理性质

• 沸点530.3±60.0 °C at 760 mmHg
• 闪点274.5±32.9 °C
• 密度1.3±0.1 g/cm3
• pKa:9.06±0.10(预测)
• PSA:72.37
• LogP:2.74
• 折射率1.622
• 蒸汽压0.0±1.4 mmHg at 25°C
• 溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• 外观形态淡黄色至淡黄色固体
• 储存条件防潮, -20°C 冰箱, 在惰性气其中
• 产品应用该化合物是一种强力的,有抗钾竞争的酸阻冻剂,它直接抑制了气态H+/K+-ATPASE.在体外,它用PH 6.5时IC50 ~19 NM 等于PH6.5时抑制了聚丙烷气态 H+/ K+/-A+-ATPASE活性H+K+/K+-ATATPS活性活性,以浓度超过0.1 NM-10 ΜM的方式抑制酶,同时表现出高度选择性,即使浓度达到 +/ K+-ATAPTASE,也没有任何抑制.在生物化学实验中,它显示质泵(KIK 3 NM)具有高度的亲近性. 在体内,大鼠口服(0.5-4 MG/KG) 抑制了按剂量剂量分辨核酸分泌;4毫克/千克的剂量完全抑制了和2-DEOXY-D-GLUCOSE-STIMATE SE SECRENURSE . ETURSE-STURSE DO DO DOD DODS SULT EXSULT ANDS AND SUFFER SUPERSULTS LATINGS EXTITS, LAPS PREPD PRESS PISALS PFUTD PHITS PRASS PRIS PREVALD PHOD PH) MINDS PH.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P305+P351+P338-

上下游产品

合成工艺路线路线简述

• 16133-25-8 + 1240948-77-9 = 881681-00-1 + 110-17-8
  反应条件:1.1 Reagents: Diisopropylethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: 1,4-Dioxane; 0 - 10 °C; < 10 °C2.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Acetic Acid,Tetrahydrofuran,Water3.1 Reagents: Sodium Borohydride Solvents: Methanol3.2 Solvents: Dimethylacetamide
  标题:An Efficient,Scalable And Eco-Friendly Synthesis Of 4,5-Substituted Pyrrole-3-Carbonitriles By Intramolecular Annulation On Pd/c And Hzsm-5
  作者:Chen,Jianchao; Et Al
  参考文献:Chemcatchem 日期:2019 卷标:11(7) 页码:1943-1948]
  
  2054536-03-5 + 16133-25-8 = 881681-00-1
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; 0.5 H,-78 °C1.2 3 H,-78 °C
  标题:Novel And Practical Synthesis Of Vonoprazan Fumarate
  作者:Yu,Qian-Ying; Et Al
  参考文献:Synthetic Communications 日期:2017 卷标:47(12) 页码:1169-1174]
  
  1807642-39-2 = 881681-00-1 + 110-17-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Acetic Acid,Tetrahydrofuran,Water2.1 Reagents: Sodium Borohydride Solvents: Methanol2.2 Solvents: Dimethylacetamide
  标题:An Efficient,Scalable And Eco-Friendly Synthesis Of 4,5-Substituted Pyrrole-3-Carbonitriles By Intramolecular Annulation On Pd/c And Hzsm-5
  作者:Chen,Jianchao; Et Al
  参考文献:Chemcatchem 日期:2019 卷标:11(7) 页码:1943-1948

海关参考信息

• 2933310010-吡啶
  2921199090-其他无环单胺
  2939800000-其他生物碱
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管