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1218-34-4

1218-34-4 Structure

1218-34-4 Structure
IdentificationMore
[Name]

N-Acetyl-L-tryptophan
[CAS]

1218-34-4
[Synonyms]

ACETYL-L-TRYPTOPHAN
ACETYL-L-TRYPTOPHANE
AC-TRP-OH
AC-TRYPTOPHAN
H-N-ACETYL-TRP-OH
L-ACETYLTRYPTOPHAN
L-N-ACETYL-2-AMINO-3-(3-INDOLYL)PROPIONIC ACID
N-ACETYL-L-TRYPTOPHAN
N-ACETYL-L-TRYTOPHAN
N-ACETYL-TRP-OH
N-ACETYL-TRYPTOPHAN
N-ALPHA-ACETYL-L-TRYPTOPHAN
RARECHEM AH BS 0070
TRYPTOPHAN, N-ACETYL-
(S)-N-Acetyltryptophan
Acetyl-L-trp
Ac-Try
l-tryptopha
L-Tryptophan, N-acetyl-
n-acetyl-l-tryptopha
[EINECS(EC#)]

214-935-9
[Molecular Formula]

C13H14N2O3
[MDL Number]

MFCD00065976
[Molecular Weight]

246.26
[MOL File]

1218-34-4.mol
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

186°C
[alpha ]

+24.0~+30.0°(20℃/D)(c=1,C2H5OH)
[Boiling point ]

389.26°C (rough estimate)
[density ]

1.1855 (rough estimate)
[refractive index ]

1.6450 (estimate)
[storage temp. ]

2-8°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

3.65±0.10(Predicted)
[color ]

White to Off-white
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Cosmetics Ingredients Functions]

SKIN PROTECTING
SKIN CONDITIONING
[LogP]

0.702 (est)
[CAS DataBase Reference]

1218-34-4(CAS DataBase Reference)
[NIST Chemistry Reference]

L-tryptophan, n-acetyl-(1218-34-4)
[EPA Substance Registry System]

1218-34-4(EPA Substance)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

YN6160000
[TSCA ]

Yes
[HS Code ]

29339900
[Safety Profile]

Moderately toxic by some routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOX,.
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

N-Acetyl-L-Tryptophan, is a derivative of L-Tryptophan (T947210), that can be used as competitive inhibitor to identify and characterize tryptophanases. It can also be used as an NK1 tachykinin receptor antagonist, that may help to develop a novel therapeutic intervention for the treatment of reperfusion injury in acute ischemic stroke.
[Definition]

ChEBI: A N-acetyl-L-amino acid that is the N-acetyl derivative of L-tryptophan.
[Biological Activity]

N-Acetyl-L-tryptophan (NATAc-Trp-OH) is used a substance P NK1 tachykinin receptor antagonist. N-Acetyl-L-tryptophan is also used as a competitive inhibitor to identifydifferentiate and characterized tryptophanase(s).
[Synthesis]

Acetyl chloride

75-36-5

L-Tryptophan

73-22-3

N-Acetyl-L-tryptophan

1218-34-4

4.1.8.4 Synthesis of N-acetyl-L-tryptophan (10b) L-tryptophan (1.00 g, 4.95 mmol) was dissolved in a mixed solution of acetone (20 mL) and 2 N NaOH (15 mL). Acetyl chloride (0.821 mL, 9.90 mmol) was added slowly and dropwise at room temperature, while 2 N NaOH was added to maintain the pH of the reaction system greater than 10. The reaction mixture was stirred at room temperature for 1 hr. Upon completion of the reaction, the acetone was removed by vacuum evaporation and the remaining aqueous phase was acidified to acidity with 3 N HCl. The aqueous phase was extracted with ethyl acetate (3 × 50 mL) and the organic phase was combined. The organic phase was washed with saturated saline and dried over anhydrous Na2SO4. The organic phase was concentrated under reduced pressure to give N-acetyl-L-tryptophan 10b (0.96 g, 80% yield) as a colorless solid.ESI/MS m/z: 246.1 [M + H]+; 1H NMR (500 MHz, DMSO) δ 12.55 (s, 1H), 10.84 (s, 1H), 8.14 (d, J = 8.0 Hz, 1H), 7.52 (d, J = 8.0 Hz, 1H), 7.33 (d, J = 8.0 Hz, 1H), 7.13 (d, J = 2.0 Hz, 1H), 7.06 (dd, J = 11.0, 4.0 Hz, 1H), 6.98 (t, J = 7.5 Hz, 1H), 4.46 (td, J = 8.5, 5.0 Hz, 1H), 3.15 (dd, J = 14.5, 5.0 Hz, 1H), 2.98 (dd, J = 14.5, 8.5 Hz, 1H), 1.80 (s, 3H).

[References]

[1] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 21, p. 6089 - 6104
Spectrum DetailBack Directory
[Spectrum Detail]

N-Acetyl-L-tryptophan(1218-34-4)MS
N-Acetyl-L-tryptophan(1218-34-4)1HNMR
N-Acetyl-L-tryptophan(1218-34-4)13CNMR
N-Acetyl-L-tryptophan(1218-34-4)IR1
N-Acetyl-L-tryptophan(1218-34-4)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1218-34-4(sigmaaldrich)
[TCI AMERICA]

N-Acetyl-L-tryptophan,>99.0%(T)(1218-34-4)
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