아세틸타이로신
N-Acetyl-L-tyrosine
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기본 정보
- CAS
537-55-3- 표준 SMILES
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O- InChIKey
CAHKINHBCWCHCF-JTQLQIEISA-N- 분자식
- C11H13NO4
- 평균 분자량
- 223.22 g/mol
- 단동위원소 질량
- 223.0844579
개요
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.
이름 및 식별자
- 우선 이름
- N-Acetyl-L-tyrosine
- IUPAC
- (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid
- 현지명
- 아세틸타이로신
- 영어명
- N-Acetyl-L-tyrosine
- 분자식
- C11H13NO4
- 분자량
- 223.23
이름 및 동의어
N-Acetyl-L-tyrosineN-AcetyltyrosineAcetyl tyrosineL-Tyrosine, N-acetyl-L-Tyrosine, acetyl-DTXSID7046045N-Acetyltyrosine (VAN)UNII-DA8G610ZO5L-N-acetyl-TyrosineTANOGEN HBTYR-EXCELACETYL L-TYROSINE
이름 더 보기
아세틸타이로신AC-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
데이터베이스 식별자
- CAS
537-55-3- PubChem CID
- 68310
- DTXSID
DTXSID7046045- ChEMBL
물성
구조 계산 물성보충 중
- XLogP
- -0.2
- 극성 표면적
- 86.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 259
실험 및 물리화학적 성질
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)]
물리화학적 성질
- 녹는점
- 149 · 149-152 °C(lit.)
- 끓는 점
- 364.51 °C · 364.51°C (rough estimate)
- 밀도
- 1.2446 · 1.2446 (rough estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
독성 정보
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
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29242995
- risk_code
- 41-36/37/38
- hazard_code
- Xi
- safety_code
- 26-39-36
화학 및 산업
약리 정보
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
용도 및 제조
UsesCIR ingredient: Acetyl Tyrosine
Use ClassificationCosmetics -> Tanning
General Manufacturing InformationL-Tyrosine, N-acetyl-: ACTIVE
응용 분야
용도N-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.
상·하류 제품 정보
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