티록신메틸에스테르

Methyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosinate

HCID 13911218

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 32180-11-3
표준 SMILES: COC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
InChIKey: ZTSGDCMQRKBJKC-ZDUSSCGKSA-N
분자식: C16H13I4NO4
평균 분자량: 790.9 g/mol
단동위원소 질량: 790.7023

이름 및 식별자

우선 이름: Methyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosinate
IUPAC: methyl (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
현지명: 티록신메틸에스테르
영어명: Thyroxine Methyl Ester
분자식: C16H13I4NO4
분자량: 790.9

이름 및 동의어

32180-11-3DTXSID20552374Methyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosinateRefChem:356789DTXCID50503157Thyroxine Methyl EsterL-Thyroxine Methyl EsterLevothyroxine Methyl EsterMETHYL (2S)-2-AMINO-3-[4-(4-HYDROXY-3,5-DIIODOPHENOXY)-3,5-DIIODOPHENYL]PROPANOATEL-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, methyl ester(S)-Methyl 2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoateL-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, methyl ester; Thyroxine, methyl ester, L- (7CI,8CI); L-Thyroxine methyl ester; Thyroxine methyl ester

이름 더 보기

티록신메틸에스테르

AUB97M3DEBThyroxine methyl ester, L-SCHEMBL8369341C16H13I4NO4Methyl 2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo phenyl) propanoateZTSGDCMQRKBJKC-ZDUSSCGKSA-NO-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine Methyl Ester3,3',5,5'-Tetraiodo-thyro-methylester

데이터베이스 식별자

CAS: 32180-11-3
PubChem CID: 13911218
DTXSID: DTXSID20552374
UNII: AUB97M3DEB

물성

구조 계산 물성

XLogP: 5
극성 표면적: 81.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 25
형식 전하: 0
복잡도: 434

물리화학적 성질

녹는점: 158 · 158-160 °C
끓는 점: 547.4 · 547.4±50.0 °C(Predicted)
밀도: 2.47 · 2.470±0.06 g/cm3(Predicted)
저장 조건: Amber Vial, Refrigerator
용해도: 클로로포름(약간 용해됨, 초음파 처리), DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
물리적 상태: 고체
산도 계수 (pKa): 6.9 · 6.90±0.25(Predicted)
색상: 페일베이지부터 베이지까지

화학 및 산업

응용 분야 · 1건

용도Thyroxine Methyl Ester is the methyl ester analog of Thyroxine (T425600) with high cross reactivity with thyroxine-specific monoclonal antibodies of humans and lab animals. It is an inhibitor of malate dehydrogenase.Thyroxine Methyl Ester is suitable for malate dehydrogenase (MDH) related research.