기본 정보
- CAS
51-49-0- 표준 SMILES
[NH3+][C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-]- InChIKey
XUIIKFGFIJCVMT-GFCCVEGCSA-N- 분자식
- C15H11I4NO4
- 평균 분자량
- 776.87 g/mol
- 단동위원소 질량
- 776.6867
개요
The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (monoiodotyrosine) and the coupling of iodotyrosines (diiodotyrosine) in the thyroglobulin. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form triiodothyronine which exerts a broad spectrum of stimulatory effects on cell metabolism.
이름 및 식별자
- 우선 이름
- (2R)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
- IUPAC
- (2R)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
- 영어명
- D-Thyroxine
- 분자식
- C15H11I4NO4
- 분자량
- 776.87
이름 및 동의어
D-T4DEBETROLD-THYROXINEof D-ThyroxinedextrothyroxineD-Thyroxine,97%Thyroxine, D- (8CI)D-thyroxine free acidD-Thyroxine USP/EP/BPLevothyroxine D-Isomer
데이터베이스 식별자
- CAS
51-49-0- PubChem CID
- 90657408
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 97.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 414
실험 및 물리화학적 성질
LogP4
Solubility8.98e-03 g/L
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point
235-236 °C
235 - 236 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 235 °C · ~235 °C (dec.)
- 끓는 점
- 576.3 · 576.3±50.0 °C(Predicted)
- 밀도
- 2.444 · 2.4440 (estimate)
- 저장 조건
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 용해도
- 산성알코올(약간 용해됨), 산성수(약간 용해됨, 초음파 처리), 수성 염기(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.12 · 2.12±0.30(Predicted)
- 색상
- 미색부터 베이지까지
- 안정성
- 흡습성
- InChI
- InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 20/21/22-40
- hazard_code
- Xn
- safety_code
- 36/37-36-22
- F 고인화성물질
- 8-10
화학 및 산업
약리 정보
PharmacodynamicsDextrothyroxine, the dextrorotary isomer of the synthetic thyroxine, is a antihyperlipidemic.
Mechanism of Action
Dextrothyroxine is a antihyperlipidemic. The mechanism of action is not completely understood, but dextrothyroxine apparently acts in the liver to stimulate formation of low-density lipoprotein (LDL) and, to a much greater extent, to increase catabolism of LDL. This leads to increased excretion of cholesterol and bile acids via the biliary route into the feces, with a resulting reduction in serum cholesterol and LDL. Dextrothyroxine has no significant effect on high-density lipoproteins (HDL). Inherently, it will also bind to thyroid receptors and as it is a prohormone, it will bind as a substrate to iodide peroxidase.
Cellular LocationsCytoplasm
응용 분야
용도One of the thyroid hormones involved in the maintenance of metabolic homeostasis. Synthesized and stored as amino acid residues of thyroglobulin, the major protein component of the thyroid follicular colloid. Synthesis and secretion are regulated by the pituitary hormone (TSH). Deiodinated in peripheral tissues to the active metabolite, liothyronine. The D-form has very little activity as a thyroid hormone, but has been used to treat hyperlipidemia.
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