아세틸타이로신
아세틸타이로신 · AC-TYR-OH · N-Acetyltyrosine · ACETYL-L-TYROSINE · ACETYLTYROSINE · N-ACEYL-L-TYROSINE · n-acetyl-l-tyrosin · -tyrosine
식별자 및 물리적 특성
| CAS No. | 537-55-3 |
|---|---|
| 분자식 | C11H13NO4 |
| 평균 분자량 | 223.22 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 아세틸타이로신 |
화학 및 물리적 성질
| XLogP | -0.2 |
|---|---|
| 극성 표면적 | 86.6 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 259 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 화장품 | Cosmetic ingredients (Acetyl Tyrosine) -> CIR (Cosmetic Ingredient Review)Tanning |
| LogP(분배 계수) | 1.320 |
| 용해도 | 297 mg/mLH2O: 용해성25mg/mL |
| 끓는 점 | 530.00 to 533.00 °C. @ 760.00 mm Hg364.51°C (rough estimate) |
| 녹는점 | 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)] |
| 밀도 | 1.2446 (rough estimate) |
| 굴절률 | 1.4960 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 수정 같은 |
| pKa(산도 계수) | 3.15±0.10(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 물(25 mg/ml) 및 에탄올에 용해됩니다. |
| BRN | 2697172 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 의약품(소분자) |
| 화장품 원료 기능 | 피부 컨디셔닝태닝 |
| 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(분배 계수) | 1.320 |
| NIST | N-acetyl-Tyr(537-55-3) |
| EPA | N-Acetyl-L-tyrosine (537-55-3) |
화학적 성질
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.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Chemical: L-Tyrosine, N-acetyl-L-Tyrosine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Eye Dam. 1 (84.3%) |
| 독성 요약 | 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 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29242995 |
| 위험 문구(R) | 41-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-39-36 |
| F 고인화성물질 | 10 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
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.