N-アセチル-L-チロシン
N-Acetyl-L-tyrosine
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基本情報
- CAS
537-55-3- 標準SMILES
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O- InChIKey
CAHKINHBCWCHCF-JTQLQIEISA-N- 分子式
- C11H13NO4
- 平均分子量
- 223.22 g/mol
- 単同位体質量
- 223.0844579
概要
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.
名称と識別子
- 優先名称
- N-Acetyl-L-tyrosine
- IUPAC
- (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid
- 現地名
- N-アセチル-L-チロシン
- 英語名
- N-Acetyl-L-tyrosine
- 分子式
- C11H13NO4
- 分子量
- 223.23
名称と別名
N-Acetyl-L-tyrosineN-AcetyltyrosineAcetyl tyrosineL-Tyrosine, N-acetyl-L-Tyrosine, acetyl-DTXSID7046045N-Acetyltyrosine (VAN)UNII-DA8G610ZO5L-N-acetyl-TyrosineTANOGEN HBTYR-EXCELACETYL L-TYROSINE
名称をさらに表示
N-アセチル-L-チロシンアセチルチロシンアセチル-L-チロシン, N-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
データベース識別子
- CAS
537-55-3- PubChem CID
物性
構造計算による物性補完中
- XLogP
- -0.2
- 極性表面積
- 86.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 259
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics
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
149-152
149 - 152 °C
Physical DescriptionSolid
Collision Cross Section154.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
物理化学的性質
- 融点
- 149 · 149-152 °C(lit.)
- 比旋光度
- 47.5 · 47.5 º (c=2, water)
- 沸点
- 364.51 °C · 364.51°C (rough estimate)
- 比重(密度)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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.
危険有害性情報
Regulatory Information
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%)
毒性情報
Toxicity Summary
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
安全データ
- F
- 10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29242995
- risk_code
- 41-36/37/38
- 化審法
- (9)-1599
化学と産業
薬理情報
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
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
用途と製造
UsesCIR ingredient: Acetyl Tyrosine
Use ClassificationCosmetics -> Tanning
General Manufacturing InformationL-Tyrosine, N-acetyl-: ACTIVE
応用分野
用途有機合成原料。
使用N-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.
上流・下流製品情報
上流原料
関連反応
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