Acetyl-α,β-dehydro-phenylalanine - CAS 5469-45-4
Catalog: |
BB028778 |
Product Name: |
Acetyl-α,β-dehydro-phenylalanine |
CAS: |
5469-45-4 |
Synonyms: |
Ac-2,3-dehydro-Phe-OH; Ac-α,β-dehydro-phenylalanine; 2-Acetamido-cinnamic acid |
IUPAC Name: | (Z)-2-acetamido-3-phenylprop-2-enoic acid |
Description: | A protein kinase C inhibitor. |
Molecular Weight: | 205.18 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | CC(=O)NC(=CC1=CC=CC=C1)C(=O)O |
InChI: | InChI=1S/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)/b10-7- |
InChI Key: | XODAOBAZOQSFDS-YFHOEESVSA-N |
Boiling Point: | 455.4 ℃ at 760 mmHg |
Melting Point: | 188-190 ℃ (lit.) |
Purity: | ≥ 96 % (HPLC) |
Density: | 1.252 g/cm3 |
Appearance: | White solid |
Storage: | Store at 2-8 ℃ |
MDL: | MFCD00008680 |
LogP: | 1.63910 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111118074-A | Method for preparing phenylpyruvic acid | 20200116 |
CN-111118074-B | Method for preparing phenylpyruvic acid | 20200116 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
CN-111018918-A | Metal complex, intermediate, preparation method and application thereof | 20181010 |
WO-2020073962-A1 | Metal complex, intermediate, and preparation method and application thereof | 20181010 |
PMID | Publication Date | Title | Journal |
15381995 | 20040621 | A new route to achiral and chiral 1,2-bis(phosphino)ethanes, 1-arsino-2-phosphinoethanes, and 1,3-bis(phosphino)propanes and the molecular structure and catalytic activity of some rhodium(I) complexes derived thereof | Dalton transactions (Cambridge, England : 2003) |
11995989 | 20010101 | Conformational properties of N',N'-dimethylamides of N-acetyldehydroalanine and N-acetyl-(Z)-dehydrophenylalanine | Acta biochimica Polonica |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 205.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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