N-アセチル-L-チロシン
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-OH · N-Acetyltyrosine · ACETYL-L-TYROSINE · ACETYLTYROSINE · N-ACEYL-L-TYROSINE
識別子と物理属性
| CAS No. | 537-55-3 |
|---|---|
| 分子式 | C11H13NO4 |
| 平均分子量 | 223.22 g/mol |
| 単同位体質量 | 223.0844579 g/mol |
| SMILES | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChIKey | CAHKINHBCWCHCF-JTQLQIEISA-N |
| PubChem CID | 68310 |
| ChEMBL | CHEMBL65543 |
| ChEBI | CHEBI:21563 |
| EC No. | 208-671-3 |
| DTXSID | DTXSID7046045 |
| 現地名 | N-アセチル-L-チロシン |
化学・物理的性質
| XLogP | -0.2 |
|---|---|
| 極性表面積 | 86.6 |
| 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 |
| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
| 化粧品 | Cosmetic ingredients (Acetyl Tyrosine) -> CIR (Cosmetic Ingredient Review)Tanning |
| LogP（分配係数） | 1.320 |
| 溶解度 | 297 mg/mLH2O: 可溶性25mg/mL水 (25 mg/ml)、エタノールに可溶。 |
| 沸点 | 530.00 to 533.00 °C. @ 760.00 mm Hg364.51°C (rough estimate) |
| 融点 | 149-152149 - 152 °C149-152 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 154.5 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| 比旋光度 | 47.5 º (c=2, water) |
| 密度 | 1.2446 (rough estimate) |
| 屈折率 | 1.4960 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | 結晶性 |
| pKa（酸解離定数） | 3.15±0.10(Predicted) |
| 色 | ホワイトからオフホワイト |
| BRN | 2697172 |
| 安定性 | 安定。強力な酸化剤とは相容れない。 |
| 主な用途 | 医薬品（低分子化合物） |
| 化粧品成分の機能 | スキンコンディショニング日焼け |
| InChI | 1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 |
| InChIKey | CAHKINHBCWCHCF-JTQLQIEISA-N |
| SMILES | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |
| LogP（分配係数） | 1.320 |
| CAS データベース | 537-55-3(CAS DataBase Reference) |
| NISTの化学物質情報 | N-acetyl-Tyr(537-55-3) |
| EPAの化学物質情報 | N-Acetyl-L-tyrosine (537-55-3) |
化学的特性
N-Acetyl-L-Tyrosine is a white crystalline powder that is an acetyl derivative of the amino acid, L-tyrosine. It is freely soluble in water compared to L-tyrosine and is commonly used as a parenteral nutrition supplement. N-Acetyl-L-tyrosine , a stable and more soluble form of tyrosine , has been incorporated in some currently available commercial parenteral amino acid formulations such as TrophAmine and Aminosyn-II.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 15.5% (61 of 394) of reports.DangerH318 (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. |
|---|---|
| 規制情報 | Chemical: L-Tyrosine, N-acetyl-L-Tyrosine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Eye Dam. 1 (84.3%) |
| 毒性の概要 | 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 TyrosineSafe for use in cosmetics, with qualifications |
| F | 10 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 29242995 |
| 危険文句（R） | 41-36/37/38 |
| 化審法 | (9)-1599 |
| 危険表示 | Xi |
| 安全措置（S） | 26-39-36 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
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.