Encyclopedia / Organic Intermediate / Pharmaceutical Intermediates

D-Styrylalanine

CAS：264903-53-9
MW:191.23
MF：C11H13NO2

D-Styrylalanine, with the chemical formula C16H17NO2 and CAS registry number 264903-53-9, is a compound known for its potential applications in the field of pharmaceutical research. This compound is a derivative of the amino acid phenylalanine, with an additional styryl group attached to the alpha carbon. D-Styrylalanine exhibits interesting properties due to the presence of the styryl moiety, which imparts unique electronic and steric effects. These properties make it a valuable building block for the synthesis of various bioactive molecules, such as peptide-based drugs and inhibitors. Furthermore, D-Styrylalanine has shown promising results in the development of new antimicrobial agents and anticancer drugs. Its structural similarity to phenylalanine also suggests potential applications in the field of protein engineering and drug delivery systems. Further research is required to fully explore the potential of D-Styrylalanine in various fields of science and medicine.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: D-Styrylalanine

1.2 Synonyms: (2R,4E)-2-Amino-5-phenyl-4-pentenoic acid; (2S)-2-{[(E)-2-Phenylvinyl]amino}propanoic acid; (E,2R)-2-Amino-5-phenylpent-4-enoic acid; (R)-2-Amino-5-phenylpent-4-enoic acid; (R,E)-2-amino-5-phenylpent-4-enoic acid; 3-STYRYL-D-ALANINE; 4-Pentenoic acid, 2-amino-5-phenyl-, (2R,4E)-; D-Styryl-Ala-OH; H-D-ALA(STYR)-OH; H-D-ALA(STYRYL)-OH; L-Alanine, N-[(E)-2-phenylethenyl]-; MFCD01860880; N-[(E)-2-Phenylethenyl]-L-alanin; N-[(E)-2-Phenylethenyl]-L-alanine; N-[(E)-2-Phenylvinyl]-L-alanine; RARECHEM BK PT 0180;

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1.3 CAS No.: 264903-53-9

1.4 CID: 7009699

1.5 Molecular Formula: C11H13NO2

1.6 Inchi: InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m1/s1

1.7 InChkey: MCGSKGBMVBECNS-LJJSCBMDSA-N

1.8 Canonical Smiles: C1=CC=C(C=C1)C=CCC(C(=O)O)N

1.9 Isomers Smiles: C1=CC=C(C=C1)/C=C/C[C@H](C(=O)O)N

2. Properties

2.1 Storage: Store at -15°C

2.2 pKa: 2.25±0.10(Predicted)

2.3 StorageTemp: Store at -15°C

3. Use and Manufacturing

3.1 Description

D-Styrylalanine, with the chemical formula C16H15NO2, has the CAS number 264903-53-9. It is a chemical compound that appears as a white to off-white powder. It does not have a distinct odor. The basic structure of D-Styrylalanine consists of a styryl group attached to an alanine molecule. This compound is sparingly soluble in water. Safety information regarding D-Styrylalanine is not available.

Applicable Fields

Pharmaceuticals: D-Styrylalanine is used in the field of pharmaceuticals. Its purpose in this field involves its potential as a building block for the synthesis of various compounds. The mechanism of action in pharmaceuticals may vary depending on the specific application of D-Styrylalanine.

Storage

Conditions: Store in a cool and dry place.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Computed Properties

Molecular Weight：191.23g/mol
Molecular Formula：C₁₁H₁₃NO₂
Compound Is Canonicalized：True
Exact Mass：-0.8
XLogP3-AA：191.094628657
Monoisotopic Mass：191.094628657
Complexity：207
Rotatable Bond Count：4
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：63.3
Heavy Atom Count：：14
Defined Atom Stereocenter Count：1
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjBmAQwCIBAAgCIAiDSCAACAAAgAAAIiIGAAIgKIDKAERCAYAAkkAAIiAcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==