기본 정보
- CAS
87272-20-6- 표준 SMILES
CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O- InChIKey
HYSMCRNFENOHJH-UHFFFAOYSA-N- 분자식
- C20H38O4
- 평균 분자량
- 342.5 g/mol
- 단동위원소 질량
- 342.27700969
개요
MEDICA 16 is an alpha,-dicarboxylic acid that is hexadecanedioic acid carrying methyl groups at positions 3 and 14. It is a free fatty acid 1 (FFA1/GPR40) receptor agonist and an ATP citrate lyase inhibitor, and exhibits hypolipidemic and antidiabetogenic properties. It has a role as an EC 2.3.3.8 (ATP citrate synthase) inhibitor, a hypoglycemic agent, an antilipemic drug, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor and a G-protein-coupled receptor agonist.
이름 및 식별자
- 우선 이름
- Medica 16
- IUPAC
- 3,3,14,14-tetramethylhexadecanedioic acid
- 영어명
- MEDICA 16
- 분자식
- C20H38O4
- 분자량
- 342.51
이름 및 동의어
MEDICA 1687272-20-63,3,14,14-Tetramethylhexadecanedioic acidMedic-16MEDICA-16TC257FLPCKCHEBI:149582DTXSID00236246RefChem:156225DTXCID00158737MEDICA16MFCD00797684
이름 더 보기
MEDICA16, 10 mM in DMSO3,3,14,14-TETRAMETHYLHEXADECANEDIONIC ACIDACLY,antidiabetogenic,ATP Citrate Lyase,antidiabetic,skeletal,Inhibitor,MEDICA16,ligands,Free Fatty Acid Receptor,MEDICA-16,insulin,FFAR,endogenous,muscle,inhibit
CHEMBL638293,3,14,14-Tetramethyl-hexadecanedioic acidHexadecanedioic acid, 3,3,14,14-tetramethyl-SR-010009466653,3,14,14-Tetramethyl-hexadecane-1,16-dioic acid3,3,14,14-Tetramethylhexanedecanedioic acidUNII-TC257FLPCKHexadecandioic acid, 3,3,14,14-tetramethyl-
데이터베이스 식별자
- CAS
87272-20-6- PubChem CID
- 121871
- DTXSID
DTXSID00236246- ChEMBL
CHEMBL63829- ChEBI
CHEBI:149582- UNII
- TC257FLPCK
- Nikkaji
- J525.373J
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 336
물리화학적 성질
- 녹는점
- 154 · 154-159 °C
- 끓는 점
- 485.9 · 485.9±18.0 °C(Predicted)
- 밀도
- 0.984 · 0.984±0.06 g/cm3(Predicted)
- 저장 조건
- 20 °C · −20°C
- 용해도
- 28 mg/mL · DMSO: 28mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.51 · 4.51±0.10(Predicted)
- 색상
- 하얀색
- InChI
- 1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)
- InChIKey
- HYSMCRNFENOHJH-UHFFFAOYSA-N
- SMILES
- CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
응용 분야
개요MEDICA 16 is a β,β''-dimethyl hexadecanedioic acid which exhibits hypolipidemic and antidiabetogenic effects in the rat. In animals that were fed a diet which was 0.25% MEDICA 16 by weight, the hypolipidemic effect consisted of a 70-80% decrease in plasma chylomicrons and VLDL-triacylglycerols as well as a 40-60% decrease in plasma VLDL-cholestrol.
용도MEDICA 16 is a β,β'-dimethyl hexadecanedioic acid which exhibits hypolipidemic and antidiabetogenic effects in the rat. In animals that were fed a diet which was 0.25% MEDICA 16 by weight, the hypolipidemic effect consisted of a 70-80% decrease in plasma chylomicrons and VLDL-triacylglycerols as well as a 40-60% decrease in plasma VLDL-cholestrol.
공급사30 곳
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