CAS: 80126-52-9; (R)-2-Amino-3-(3-Chlorophenyl)Propanoic Acid

该化合物是一种手性非蛋白性氨基酸,具有3-氯苯基替代成分,其立体特性(R)配置使其对不对称合成和药物研究,特别是发展乳房化学和酶抑制剂具有价值.氯代体增强了其作为生物活性化合物构件的效用,提供了独特的电子和...

英文名称(R)-2-Amino-3-(3-Chlorophenyl)Propanoic Acid
中文名称(R)-2-氨基-3-(3-氯苯基)丙酸
IUPAC名称(2R)-2-amino-3-(3-chlorophenyl)propanoic acid
其它别名(D)-2-氨基-3-(3-氯苯基)丙酸; H-D-Phe(3-Cl)-Oh
CAS编号80126-52-9
MFCD编号:MFCD01631984
EINECS号:966-148-1
分子式:C9H10ClNO2
分子量:199.63
产品CID: 1795510
产品分类有机原料→分子砌块→手性化合物→手性砌块

相似结构搜索
InChIKey: JJDJLFDGCUYZMN-MRVPVSSYSA-N
InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1…
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数3.0

相似化合物

80102-25-6 80126-51-8 198560-44-0

物理性质

沸点339.5°C at 760 mmHg
闪点159.1°C
密度1.3±0.1 g/cm3
pKa:2.17±0.10(预测)
PSA:63.32
LogP:1.2944
折射率1.590
蒸汽压0.0±0.8 mmHg at 25°C
溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
外观形态白色粉末
储存条件储存在 0°C

MSDS等安全信息

GHS符号GHS07
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2A
警示词Warning
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi

欧盟法规

C&L通报

上下游产品

(rac)-2-benzamido-3-(3-chlorophenyl)propanoic acid 2-(3-chlorobenzyl)malonic acid 2-(Benzhydrylidene-amino)-3-(3-chloro-phenyl)-propionic acid methyl ester 1-Chloro-3-chloromethyl-benzene2-(3-chlorophenyl)ethylamine 3-chlorophenylalanine (R)-3-chlorophenylalanine methyl ester hydr°Chloride

合成工艺路线路线简述

114872-90-1 = 80126-52-9
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water
标题:Synthesis,Resolution And Characterization Of Ring Substituted Phenylalanines And Tryptophans
作者:Porter,John; Et Al
参考文献:International Journal Of Peptide & Protein Research 日期:1987 卷标:30(1) 页码:13-21]

114872-54-7 = 80126-52-9
反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Water2.1 Solvents: Trifluoroacetic Acid3.1 Reagents: Sodium Hydroxide,Carboxypeptidase A3.2 Reagents: Water4.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water
标题:Synthesis,Resolution And Characterization Of Ring Substituted Phenylalanines And Tryptophans
作者:Porter,John; Et Al
参考文献:International Journal Of Peptide & Protein Research 日期:1987 卷标:30(1) 页码:13-21]

766-80-3 + 1068-90-2 = 80126-52-9
反应条件:1.1 Reagents: Sodium Ethoxide Solvents: Ethanol1.2 Solvents: Ethanol2.1 Reagents: Hydrogen Bromide Solvents: Water3.1 Solvents: Trifluoroacetic Acid4.1 Reagents: Sodium Hydroxide,Carboxypeptidase A4.2 Reagents: Water5.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water
标题:Synthesis,Resolution And Characterization Of Ring Substituted Phenylalanines And Tryptophans
作者:Porter,John; Et Al
参考文献:International Journal Of Peptide & Protein Research 日期:1987 卷标:30(1) 页码:13-21]

1956-15-6 = 80126-52-9
反应条件:1.1 Reagents: Oxygen Catalysts: L-Amino Acid Oxidase,Catalase Solvents: Water
标题:Preparation Of (R)-Phenylalanine Analogs By Enantioselective Destruction Using L-Amino Acid Oxidase
作者:Pirrung,Michael C.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1993 卷标:58(4) 页码:957-8]

145243-38-5 = 80126-52-9
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water2.1 Reagents: Oxygen Catalysts: L-Amino Acid Oxidase,Catalase Solvents: Water
标题:Preparation Of (R)-Phenylalanine Analogs By Enantioselective Destruction Using L-Amino Acid Oxidase
作者:Pirrung,Michael C.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1993 卷标:58(4) 页码:957-8]

80102-24-5 = 80126-52-9
反应条件:1.1 Reagents: Sodium Hydroxide,Carboxypeptidase A1.2 Reagents: Water2.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water
标题:Synthesis,Resolution And Characterization Of Ring Substituted Phenylalanines And Tryptophans
作者:Porter,John; Et Al
参考文献:International Journal Of Peptide & Protein Research 日期:1987 卷标:30(1) 页码:13-21]

1956-15-6 = 80126-52-9
反应条件:1.1 Solvents: Trifluoroacetic Acid2.1 Reagents: Sodium Hydroxide,Carboxypeptidase A2.2 Reagents: Water3.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water
标题:Synthesis,Resolution And Characterization Of Ring Substituted Phenylalanines And Tryptophans
作者:Porter,John; Et Al
参考文献:International Journal Of Peptide & Protein Research 日期:1987 卷标:30(1) 页码:13-21]

766-80-3 + 81167-39-7 = 80126-52-9
反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Benzyltriethylammonium Chloride2.1 Reagents: Hydrochloric Acid Solvents: Water3.1 Reagents: Oxygen Catalysts: L-Amino Acid Oxidase,Catalase Solvents: Water
标题:Preparation Of (R)-Phenylalanine Analogs By Enantioselective Destruction Using L-Amino Acid Oxidase
作者:Pirrung,Michael C.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1993 卷标:58(4) 页码:957-8

3-氯苄溴置于盐酸,氢氧化钾,苄基三乙基氯化铵体系中,化学反应生成 3-氯-D-苯丙氨酸
参考文献:Preparation Of (R)-Phenylalanine Analogs By Enantioselective Destruction Using L-Amino Acid Oxidase
标题:Preparation Of (R)-Phenylalanine Analogs By Enantioselective Destruction Using L-Amino Acid Oxidase
摘要:
DOI:10.1021/jo00056A033

海关参考信息

2902600000-乙苯
2903919090-氯苯
2905121000-正丙醇
2912110000-甲醛
💡 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

专利号:US-2022243244-A1
优先权日:2019-10-10
标题 :Compositions and methods for in vivo synthesis of unnatural polypeptides
发明人：ROMESBERG FLOYD E; FISCHER EMIL C; HASHIMOTO KOJI; FELDMAN AARON W; DIEN VIVIAN T; ZHANG YORKE
权利人:SCRIPPS RESEARCH INST
摘要:Disclosed herein are compositions, methods, and kits for a cell incorporating unnatural amino acids into an unnatural polypeptide. Also disclosed herein are compositions, methods, and kits for increasing activity and yield of the unnatural polypeptide synthesized by the cell.

专利号:US-2023037284-A9
优先权日:2018-11-30
标题:Combination therapy of peptidomimetic macrocycles
发明人：GUERLAVAIS VINCENT; ANNIS DAVID ALLEN
权利人:AILERON THERAPEUTICS INC
摘要:The present disclosure describes the synthesis of peptidomimetic macrocycles and methods of using peptidomimetic macrocycles to treat a condition. The present disclosure also describes methods of using peptidomimetic macrocycles in combination with at least one additional pharmaceutically-active agent for the treatment of a condition, for example, cancer.

专利号:US-2025084410-A1
优先权日:2015-01-12
标题:Incorporation of unnatural nucleotides and methods thereof
发明人：PTACIN JEROD; MALYSHEV DENIS A; CAFFARO CAROLINA E
权利人:SYNTHORX INC
摘要:Disclosed herein are methods, compositions and kits for the synthesis of proteins which comprises unnatural amino acids that utilize a mutant tRNA.

专利号:US-2018371021-A1
优先权日:2017-05-11
标题 :Peptidomimetic macrocycles and uses thereof
发明人：AIVADO MANUEL; GUERLAVAIS VINCENT; OLSON KAREN
权利人:AILERON THERAPEUTICS INC
摘要:The present disclosure describes the synthesis of peptidomimetic macrocycles and methods of using peptidomimetic macrocycles to treat a condition. The present disclosure also describes methods of using peptidomimetic macrocycles in combination with at least one additional pharmaceutically-active agent for the treatment of a condition, for example, cancer.

专利号:WO-2021072167-A1
优先权日:2019-10-10
标题:Compositions and methods for in vivo synthesis of unnatural polypeptides

专利号:US-11091522-B2
优先权日:2018-07-23
标题 :Peptidomimetic macrocycles and uses thereof
发明人：AIVADO MANUEL; GUERLAVAIS VINCENT; OLSON KAREN; ANNIS DAVID ALLEN
权利人:AILERON THERAPEUTICS INC
摘要:The present disclosure describes the synthesis of peptidomimetic macrocycles and methods of using peptidomimetic macrocycles to treat a condition. The present disclosure also describes methods of using peptidomimetic macrocycles in combination with at least one additional pharmaceutically-active agent for the treatment of a condition, for example, cancer.