Boc-L-phenylalanine - ≥98% , CAS No.13734-34-4

CAS: 13734-34-4 Cat. No.: B105463 Molecular Weight: 265.3 Beilstein Registry Number: 2219729 EC Number: 237-305-5

GRADE & PURITY ≥98%

Synonyms

Boc-Phe-OH | (S)-magnoflorine | Nalpha -Boc-phenylalanine | Boc-(L)-Phe-OH | B1332 | N-tert-butyloxycarbonyl-(L)-phenylalanine | Boc-PheOH | Boc-Phe-OH | N-t butoxycarbonyl-L-phenylalanine | CGP 23339A | SCHEMBL66220 | tert-butoxycarbonylphenylalanine | (

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Boc-Phe-OH | (S)-magnoflorine | Nalpha -Boc-phenylalanine | Boc-(L)-Phe-OH | B1332 | N-tert-butyloxycarbonyl-(L)-phenylalanine | Boc-PheOH | Boc-Phe-OH | N-t butoxycarbonyl-L-phenylalanine | CGP 23339A | SCHEMBL66220 | tert-butoxycarbonylphenylalanine | (

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755218
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755218
• Canonical Smiles: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O
• IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
• InChIKey: ZYJPUMXJBDHSIF-NSHDSACASA-N
• INCHI: 1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
• WGK Germany: 3
• Molecular Weight: 265.3
• Beilstein: 2219729
• Reaxy-Rn: 1130179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1130179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids Amphetamines and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Klebsiella pneumoniae (43867 Activities)

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Escherichia coli (133304 Activities)

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Staphylococcus (1598 Activities)

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Aspergillus flavus (8875 Activities)

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Aspergillus niger (16508 Activities)

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Fusarium oxysporum (3998 Activities)

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Xanthomonas oryzae (286 Activities)

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GAP1 General amino-acid permease GAP1 (481 Activities)

Discover Target: GAP1

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol, dichloromethane, dimethylformamide and N-methyl-2-pyrrolidone.
• Specific Rotation[α]: 24.5 ° (C=1, EtOH)
• Melt Point(°C): 85-90°C
• Molecular Weight: 265.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.131 Da
• Monoisotopic Mass: 265.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 316.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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2. Chongyang Jin, Hualin Wang, Minmin Chen, Suwei Jiang, Qiusheng Song, Min Pang, Shaotong Jiang.  (2017)  Fabrication of zinc (II) functionalized l-phenylalanine in situ grafted starch and its antibacterial activity and cytotoxicity.  Journal of Functional Foods,      [PMID:] [10.1016/j.jff.2017.09.015]

3. Lanxia Zhao, Xia Zhang, Xin Liu, Juan Li, Yuxia Luan.  (2017)  pH-responsive poly(ethylene glycol)-poly(ϵ-caprolactone)-poly(glutamic acid) polymersome as an efficient doxorubicin carrier for cancer therapy.  POLYMER INTERNATIONAL,  66  (11): (1579-1586).  [PMID:] [10.1002/pi.5416]

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5. Xiaohai Bu, Yuming Zhou, Zhenjie Chen, Man He, Tao Zhang.  (2014)  Optically active amino acid-based polyacetylenes: Effect of tunable helical conformation on infrared emissivity property.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2014.05.006]

6. Xiaohai Bu, Yuming Zhou, Tao Zhang, Yongjuan Wang, Zewu Zhang, Man He.  (2014)  Optically active substituted polyacetylene@carbon nanotube hybrids: Preparation, characterization and infrared emissivity property study.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2014.04.011]

7. Xiaohai Bu, Yuming Zhou, Man He, Zhenjie Chen, Tao Zhang.  (2013)  Optically active SiO2/TiO2/polyacetylene multilayered nanospheres: Preparation, characterization, and application for low infrared emissivity.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2013.10.053]

8. Chengyi He, Tianyue Wu, Jing Li, Xingyu Zhang, Zirui Zheng, Yuxia Gao, Chenhui Zhang, Tingjun Zhong, Yunfei Zhang, Fengpei Du.  (2024)  Bio-stimulant based nanodelivery system for pesticides with high adhesion and growth stimulation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151904]

9. Ying Yu, Shuang Ren, Lixia Shang, Baoyan Zuo, Guofei Li, Jingxin Gou, Wei Zhang.  (2024)  Prolonged joint cavity retention of tranexamic acid achieved by a solid-in-oil-in-gel system: A preliminary study.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:38871135] [10.1016/j.ijpharm.2024.124334]

10. Xiaoqian Liu, Jingjing Wang, Yi Chu, Xiaoying Zhou.  (2016)  Serum based fluorescent assay for evaluating dipeptidyl peptidase I activity in collagen induced arthritis rat model.  MOLECULAR AND CELLULAR PROBES,      [PMID:27771442] [10.1016/j.mcp.2016.10.009]