N-Acetyl-L-tyrosin

N-Acetyl-L-tyrosine

HCID 68310CAS 537-55-3
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Grundinformationen

Standard-SMILES
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIKey
CAHKINHBCWCHCF-JTQLQIEISA-N
Summenformel
C11H13NO4
Durchschnittliche Molmasse
223,22 g/mol
Monoisotopische Masse
223,0844579

Überblick

N-acetyl-L-tyrosine is an N-acetyltyrosine in which the chiral centre has L configuration. It has a role as a biomarker, an EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor and a human urinary metabolite. It is a N-acetyltyrosine and a N-acyl-L-tyrosine. It is a conjugate acid of a N-acetyl-L-tyrosinate.

Namen und Bezeichner

Bevorzugter Name
N-Acetyl-L-tyrosine
IUPAC
(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid
Lokaler Name
N-Acetyl-L-tyrosin
Englischer Name
N-Acetyl-L-tyrosine
Summenformel
C11H13NO4
Molmasse
223.23

Namen und Synonyme

N-Acetyl-L-tyrosineN-AcetyltyrosineAcetyl tyrosineL-Tyrosine, N-acetyl-L-Tyrosine, acetyl-DTXSID7046045N-Acetyltyrosine (VAN)UNII-DA8G610ZO5L-N-acetyl-TyrosineTANOGEN HBTYR-EXCELACETYL L-TYROSINE
Weitere Namen anzeigen
AC-TYR-OHACETYL-L-TYROSINEACETYLTYROSINEN-ACEYL-L-TYROSINEn-acetyl-l-tyrosin-tyrosineN-Acetyl-Thiazolidine-4-carboxylic acid amino acidN-Ac-TyrN-AC-L-TYR
EINECS 208-671-3NSC 10853Tyrosine, N-acetyl-, L-L-TYROSINE, N-ACETYLDTXCID5026045N-ACETYL-L-TYROSINE [USP-RS]N-ACETYLTYROSINE [EP MONOGRAPH](2S)-2-(acetylamino)-3-(4-hydroxyphenyl)propanoic acid

Datenbank-Bezeichner

CAS
537-55-3
PubChem CID
68310
DTXSID
DTXSID7046045
ChEMBL
CHEMBL65543
ChEBI
CHEBI:21563
UNII
DA8G610ZO5
EC Number
208-671-3
Nikkaji
J62.819K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,2
Polarare Oberfläche (TPSA)
86,6 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
16

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics · 2 Einträge

Cosmetic ingredients (Acetyl Tyrosine) -> CIR (Cosmetic Ingredient Review)

Tanning

LogP1.320
Solubility297 mg/mL
Boiling Point530.00 to 533.00 °C. @ 760.00 mm Hg
Melting Point · 2 Einträge

149-152

149 - 152 °C

Physikochemische Eigenschaften

Schmelzpunkt
149 · 149-152 °C(lit.)
Siedepunkt
364.51 °C · 364.51°C (rough estimate)
Dichte
1.2446 · 1.2446 (rough estimate)
Brechungsindex
1.496 · 1.4960 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
2 O: · H2O: soluble25mg/mL

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 15.5% (61 of 394) of reports.

Danger

H318 (84.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 394 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: L-Tyrosine, N-acetyl-

L-Tyrosine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesEye Dam. 1 (84.3%)

Toxikologische Informationen

Toxicity Summary · 2 Einträge

The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Tyrosine

Safe for use in cosmetics, with qualifications

Sicherheitsdaten

F
10
wgk
3
tsca
TSCA listed
hs_code
29242995
risk_code
41-36/37/38
hazard_code
Xi

Chemie und Industrie

Pharmakologische Informationen

PharmacodynamicsN-acetyltyrosine is used as a high solubility precursor to [DB00135] used due to [DB00135]'s poor solubility. It is deacetylated to form [DB00135].
Mechanism of ActionUsed as a source of [DB00135]. See [DB00135] for more information on its role and pharmacology.
Absorption, Distribution and Excretion · 1 Eintrag

N-acetyltyrosine is eliminated in the urine. The extent of urinary elimination versus utilization in the tissues appears to be related to the rapidity of infusion. When infused slowly in standard doses as in the clinical setting, about 35% is excreted unchanged in the urine. When larger doses are infused rapidly, much higher amounts are excreted reaching values up to 56%. In rat studies it was found that of the drug eliminated in the urine about 74% is present as unchanged N-acetyltyrosine and 23% is present as tyrosine.

Cellular LocationsCytoplasm

Verwendung und Herstellung

UsesCIR ingredient: Acetyl Tyrosine
Use ClassificationCosmetics -> Tanning
General Manufacturing InformationL-Tyrosine, N-acetyl-: ACTIVE

Anwendungen

VerwendenN-Acetyl-L-tyrosine is involved in catecholamine production. It can be used as a cell culture media component in the commercial biomanufacture of therapeutic recombinant proteins and monoclonal antibodies.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: N-acetyl-L-tyrosine is an N-acetyltyrosine in which the chiral centre has L configuration. It has a role as an EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor, a biomarker and a human urinary metabolite. It is a N-acyl-L-tyrosine and a N-acetyltyrosine. It is a conjugate acid of a N-acetyl-L-tyrosinate.

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