기본 정보
- 표준 SMILES
N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O- InChIKey
UQTZMGFTRHFAAM-ZETCQYMHSA-N- 분자식
- C9H10INO3
- 평균 분자량
- 307.08 g/mol
- 단동위원소 질량
- 306.97054118
개요
3-iodo-L-tyrosine is the monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group. It has a role as an EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor, a mouse metabolite and a human metabolite. It is a monoiodotyrosine, a L-tyrosine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a 3-iodo-L-tyrosine zwitterion.
이름 및 식별자
- 우선 이름
- 3-Iodo-L-Tyrosine
- IUPAC
- (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
- 영어명
- 2-Amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
- 분자식
- C9H10INO3
- 분자량
- 307.08507
이름 및 동의어
3-Iodo-L-tyrosine70-78-03-IODOTYROSINEL-Tyrosine, 3-iodo-3-Iodo-4-hydroxyphenylalanineTyrosine, 3-iodo-, L-FRQ98U4U27DTXSID1075353CHEBI:27847NSC-210787DTXSID80861616RefChem:502789
이름 더 보기
DTXCID3046613DTXCID00212722200-744-82-amino-3-(4-hydroxy-3-iodophenyl)propanoic acidH-Tyr(3-I)-OHMonoiodotyrosine(S)-2-Amino-3-(4-hydroxy-3-iodophenyl)propanoic acid3-IODO-TYROSINE
데이터베이스 식별자
- CAS
3078-39-5、70-78-0- PubChem CID
- 439744
- DTXSID
DTXSID1075353- ChEMBL
CHEMBL479789- ChEBI
CHEBI:27847- UNII
- FRQ98U4U27
- EC Number
- 200-744-8
- Nikkaji
- J4.880A
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 212
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Solubility3 mg/mL
Melting Point205 °C
Physical DescriptionSolid
Collision Cross Section158.8 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
약리 정보
Tissue LocationsThyroid Gland
Cellular LocationsCytoplasm
Metabolite PathwaysThyroid hormone synthesis
공급사6 곳
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
관련 반응
4건
연결된 노트
불러오는 중…