CAS: 83150-76-9; Octreotide Acetate

• 英文名称Octreotide Acetate
• 中文名称醋酸奥曲肽
• IUPAC名称(4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((S)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
• 其它别名7)-disulfide
• CAS编号83150-76-9
• MFCD编号:MFCD07780622
• FDA UNII编号:RWM8CCW8GP
• 分子式:C49H66N10O10S2
• 分子量:1019.24
• 产品CID: 1820558
• 同类组份化合物CAS79517-01-4 (acetate)83150-76-9 (free base)1607842-55-6 (HCl)135467-16-2 (pamoate)
• 产品分类原料药 → 激素及调节内分泌功能类药 → 其它

• 相似结构搜索
• 产品信息参考;;
• InChIKey: DEQANNDTNATYII-OULOTJBUSA-N
• DEQANNDTNATYII-MEUDYGGUSA-N…
• 计算化学: 氢键受体数14.0氢键供体数13.0可旋转键数17.0

物理性质

• 熔点>140°C (分解)
• 沸点1447.2±65.0 °C at 760 mmHg
• 闪点829.1±34.3 °C
• 密度1.4±0.1 g/cm3
• pKa:12.60±0.70(预测)
• PSA:382.82
• LogP:0.77
• 折射率1.673
• 蒸汽压0.0±0.3 mmHg at 25°C
• 溶解性Soluble In Acetic Acid, DMSO, And Methanol
• 外观形态白色至类白色固体
• 储存条件-20°C
• 产品应用奥曲肽(83150-76-9)的用途:作用和天然内源性生长抑素类似,作用较强而持久.用于缓解由胃,肠,胰内分泌系统肿瘤或类癌肿瘤所产生的症状,对肿瘤的治疗无效.

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
• UN编号NONH for all modes of transport
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 合成目标产物 Octreotide Acetate 主要起始原料 Boc-D-Phenylalanine
• 105047-45-8 + 86123-10-6 + 135248-89-4 + 86123-11-7 + 71989-35-0 + 35661-40-6 = 83150-76-9
  反应条件:1.1 Reagents: Piperidine Solvents: Dimethylformamide; 30 Min,Rt1.2 Reagents: Diisopropylethylamine,1-[bis(Dimethylamino)Methylene]-1H-Benzotriazolium Hexafluorophosphate(1-) 3-Oxi... Solvents: Dimethylformamide; 3 H,Rt1.3 Reagents: Piperidine Solvents: Dimethylformamide; 30 Min,Rt1.4 Reagents: Diisopropylethylamine,1-[bis(Dimethylamino)Methylene]-1H-Benzotriazolium Hexafluorophosphate(1-) 3-Oxi... Solvents: Dimethylformamide; 3 H,Rt1.5 Reagents: Piperidine Solvents: Dimethylformamide; 30 Min,Rt1.6 Reagents: Diisopropylethylamine,1-[bis(Dimethylamino)Methylene]-1H-Benzotriazolium Hexafluorophosphate(1-) 3-Oxi... Solvents: Dimethylformamide; 3 H,Rt1.7 Reagents: Piperidine Solvents: Dimethylformamide; 30 Min,Rt1.8 Reagents: Diisopropylethylamine,1-[bis(Dimethylamino)Methylene]-1H-Benzotriazolium Hexafluorophosphate(1-) 3-Oxi... Solvents: Dimethylformamide; 3 H,Rt1.9 Reagents: Piperidine Solvents: Dimethylformamide; 30 Min,Rt1.10 Reagents: Diisopropylethylamine,1-[bis(Dimethylamino)Methylene]-1H-Benzotriazolium Hexafluorophosphate(1-) 3-Oxi... Solvents: Dimethylformamide; 3 H,Rt1.11 Reagents: Piperidine Solvents: Dimethylformamide; 30 Min,Rt1.12 Reagents: Diisopropylethylamine,1-[bis(Dimethylamino)Methylene]-1H-Benzotriazolium Hexafluorophosphate(1-) 3-Oxi... Solvents: Dimethylformamide; 3 H,Rt1.13 Reagents: Piperidine Solvents: Dimethylformamide; 30 Min,Rt1.14 Reagents: Trifluoroacetic Acid,Anisole,Thioanisole,1,2-Ethanedithiol; 1 H,Rt1.15 Solvents: Water; 48 H,Ph 7.4,Rt
  标题:Synthesis Of Peptide Alcohols On The Basis Of An O-N Acyl-Transfer Reaction
  作者:Tailhades,Julien; Et Al
  参考文献:Angewandte Chemie 日期:2010 卷标:49(1) 页码:117-120]
  
  205652-45-5 = 83150-76-9
  反应条件:1.1 Reagents: Dimethyl Sulfoxide,Ammonium Acetate Solvents: Acetonitrile,Water; Overnight,Rt
  标题:Synthesis And In Vitro Evaluation Of A Rhenium-Cyclized Somatostatin Derivative Series
  作者:Bigott-Hennkens,Heather M.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2008 卷标:51(5) 页码:1223-1230]
  
  205652-45-5 = 83150-76-9
  反应条件:1.1 Reagents: Acetic Acid,Mercuric Acetate Solvents: Methanol,Water; 1.5 H,20 °C1.2 Reagents: Hydrogen Sulfide; 30 Min,20 °C1.3 Solvents: Ethyl Acetate; 20 °C1.4 Reagents: Ammonia Solvents: Water; Ph 8.0,20 °C1.5 Reagents: Hydrogen Peroxide; 30 Min,20 °C1.6 Reagents: Acetic Acid Solvents: Water; 20 °C
  标题:The Use Of Hydrogen Peroxide For Closing Disulfide Bridges In Peptides
  作者:Sidorova,M. V.; Et Al
  参考文献:Russian Journal Of Bioorganic Chemistry (Translation Of Bioorganicheskaya Khimiya) 日期:2004 卷标:30(2) 页码:101-110]
  
  = 83150-76-9
  反应条件:1.1 Reagents: Trifluoroacetic Acid,Triisopropylsilane Solvents: Dichloromethane,Water; 60 Min,Rt1.2 Solvents: Tert-Butyl Methyl Ether; 30 Min,Rt
  标题:Large Scale Solid Phase Synthesis Of Peptide Drugs: Use Of Commercial Anion Exchange Resin As Quenching Agent For Removal Of Iodine During Disulfide Bond Formation
  作者:Reddy,K. M. Bhaskara; Et Al
  参考文献:International Journal Of Peptides 日期:2012 卷标:323907]
  
  = 83150-76-9
  反应条件:1.1 Reagents: Iodine Solvents: Methanol,Water; 7 H,0 - 5 °C; 2 H,0 - 5 °C1.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Rt1.4 Reagents: Acetic Acid; Rt
  标题:A New Liquid-Phase Method For The Synthesis Of Octreotide
  作者:Balaev,A. N.; Et Al
  参考文献:Pharmaceutical Chemistry Journal 日期:2013 卷标:47(7) 页码:378-381]
  
  205652-45-5 = 83150-76-9
  反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Water; 3 D,Ph 8.0,Rt1.2 Reagents: Acetic Acid Solvents: Water; Ph 4.5,Rt
  标题:Solid-Phase Synthesis Of Octreotide Acetate
  作者:Liu,Zuojia; Jia,Zhidan; Liang,Yongtao; Wang,Ensi
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2004 卷标:14(1) 页码:33-36

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2905399001-1,3-丙二醇
  2912110000-甲醛
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