Ac-Phe-OH structure
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Common Name | Ac-Phe-OH | ||
|---|---|---|---|---|
| CAS Number | 2018-61-3 | Molecular Weight | 207.226 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 453.9±38.0 °C at 760 mmHg | |
| Molecular Formula | C11H13NO3 | Melting Point | 171-173 °C(lit.) | |
| MSDS | USA | Flash Point | 228.3±26.8 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N-acetyl-L-phenylalanine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 453.9±38.0 °C at 760 mmHg |
| Melting Point | 171-173 °C(lit.) |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.226 |
| Flash Point | 228.3±26.8 °C |
| Exact Mass | 207.089539 |
| PSA | 66.40000 |
| LogP | 0.78 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.548 |
| InChIKey | CBQJSKKFNMDLON-JTQLQIEISA-N |
| SMILES | CC(=O)NC(Cc1ccccc1)C(=O)O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
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| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2924299090 |
|---|---|
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Peptide synthesis catalyzed by an antibody containing a binding site for variable amino acids.
Science 265 , 234, (1994) Monoclonal antibodies, induced with a phosphonate diester hapten, catalyzed the coupling of p-nitrophenyl esters of N-acetyl valine, leucine, and phenylalanine with tryptophan amide to form the corres... |
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Studies on the mechanism for renal elimination of N-acetylphenylalanine: its pathophysiologic significance in phenylketonuria.
J. Lab. Clin. Med. 105(1) , 132-8, (1985) To elucidate the mechanism and biologic significance of urinary occurrence of N-acetylphenylalanine in phenylketonuria, the metabolic fate of N-acetylphenylalanine was studied in rats. In vivo and in ... |
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Molecular dynamics (MD) simulations for the prediction of chiral discrimination of N-acetylphenylalanine enantiomers by cyclomaltoheptaose (beta-cyclodextrin, beta-CD) based on the MM-PBSA (molecular mechanics-Poisson-Boltzmann surface area) approach.
Carbohydr. Res. 339(11) , 1961-6, (2004) Molecular dynamics (MD) simulations were performed for the prediction of chiral discrimination of N-acetylphenylalanine enantiomers by cyclomaltoheptaose (beta-cyclodextrin, beta-CD). Binding free ene... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-FF
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-Ren
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Name: Phenotypic Assay to Identify Small Molecules that Upregulate Production of hCFTR in H...
Source: Southern Research Institute
Target: CFTR
External Id: CF Folding
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Name: Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening
Source: 11827
Target: Phosphogluconate dehydrogenase
External Id: 6PGD_Inhibitor_Screening_2015_09
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N-Acetyl-3-phenyl-L-alanine |
| (2R)-2-acetamido-3-phenylpropanoic acid |
| N-Acetyl-D-phenylalanine |
| N-Acetyl-l-Phenylalanine |
| Acetyl-L-phenylalanine |
| (S)-2-Acetamido-3-phenylpropanoic acid |
| EINECS 217-959-8 |
| N-acetyl-D,L-phenylalanine |
| (2S)-2-acetamido-3-phenylpropanoic acid |
| L-N-Acetylphenylalanine |
| MFCD00063158 |
| Ac-Phe-OH |
| Acetyl-D-Phenylalanine |
| acetylphenylalanine |
| Ac-D-Phe-OH |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of N-acetyl-L-phenylalanine? |
| A: Polar surface area (PSA) of N-acetyl-L-phenylalanine is 66.40000. |
| Q: What are the upstream materials of N-acetyl-L-phenylalanine? |
| A: Related upstream materials(CAS) of N-acetyl-L-phenylalanine: 63-91-2;108-24-7;64-19-7;52386-78-4;5429-56-1;21156-62-7. |
| Q: What are the downstream products of N-acetyl-L-phenylalanine? |
| A: Related downstream products(CAS) of N-acetyl-L-phenylalanine: 1161573-31-4;439858-21-6;37736-82-6;18934-57-1;3618-96-0;2901-75-9;10030-31-6;13555-25-4;14009-94-0;17363-92-7. |
| Q: What is the InChIKey of N-acetyl-L-phenylalanine? |
| A: InChIKey of N-acetyl-L-phenylalanine is CBQJSKKFNMDLON-JTQLQIEISA-N. |
| Q: What is the molecular formula of N-acetyl-L-phenylalanine? |
| A: Molecular formula of N-acetyl-L-phenylalanine is C11H13NO3. |
| Q: What is the molecular weight of N-acetyl-L-phenylalanine? |
| A: Molecular weight of N-acetyl-L-phenylalanine is 207.226. |
| Q: What English synonyms does N-acetyl-L-phenylalanine have? |
| A: English synonyms of N-acetyl-L-phenylalanine: N-Acetyl-3-phenyl-L-alanine, (2R)-2-acetamido-3-phenylpropanoic acid, N-Acetyl-D-phenylalanine, N-Acetyl-l-Phenylalanine, Acetyl-L-phenylalanine, (S)-2-Acetamido-3-phenylpropanoic acid, EINECS 217-959-8, N-acetyl-D,L-phenylalanine, (2S)-2-acetamido-3-phenylpropanoic acid, L-N-Acetylphenylalanine, MFCD00063158, Ac-Phe-OH, Acetyl-D-Phenylalanine, acetylphenylalanine, Ac-D-Phe-OH. |
| Q: What is the melting point of N-acetyl-L-phenylalanine? |
| A: Melting point of N-acetyl-L-phenylalanine is 171-173 °C(lit.). |
| Q: What is the English name of N-acetyl-L-phenylalanine? |
| A: The English name of N-acetyl-L-phenylalanine is N-acetyl-L-phenylalanine. |
| Q: What is the SMILES notation of N-acetyl-L-phenylalanine? |
| A: SMILES notation of N-acetyl-L-phenylalanine is CC(=O)NC(Cc1ccccc1)C(=O)O. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |