기본 정보
- CAS
1000413-72-8- 표준 SMILES
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1- InChIKey
BZCALJIHZVNMGJ-HSZRJFAPSA-N- 분자식
- C29H32O7S
- 평균 분자량
- 524.6 g/mol
- 단동위원소 질량
- 524.18687436
개요
Fasiglifam is a member of biphenyls.
이름 및 식별자
- 우선 이름
- Fasiglifam
- IUPAC
- 2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
- 영어명
- TAK-875
- 분자식
- C29H32O7S
- 분자량
- 524.63
이름 및 동의어
Fasiglifam1000413-72-8TAK-875TAK875TAK 875Tak-875 anhydrousGLP1W4JXAHDTXSID601025726((3S)-6-((3-(4-(3-Methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl)acetic acid[(3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acidfasiglifamum((3S)-6-((3-(4-(3-Methanesulfonylpropoxy)-2,6-dimethylphenyl)phenyl)methoxy)-2,3-dihydro-1-benzofuran-3-yl)acetic Acid
이름 더 보기
CS-54TAK-875,TAK875TAK-875, >=98%TAK875 USP/EP/BPFASIGLIFAM (TAK-875)TAK 875.Fasiglifam, 10 mM in DMSO
2-((3S)-6-((3-(4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl)phenyl)methoxy)-2,3-dihydro-1-benzofuran-3-yl)acetic acid2-[(3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acidRefChem:921483DTXCID3015099912-((3S)-6-((4'-(3-methanesulfonylpropoxy)-2',6'-dimethyl-(1,1'-biphenyl)-3-yl)methoxy)-2,3-dihydro-1-benzofuran-3-yl)acetic acid(S)-2-(6-((2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acidUNII-GLP1W4JXAHTAK-875(Fasiglifam)
데이터베이스 식별자
- CAS
1000413-72-8- PubChem CID
- 24857286
- DTXSID
DTXSID601025726- ChEMBL
CHEMBL1829174- ChEBI
CHEBI:177451- UNII
- GLP1W4JXAH
- EC Number
- 805-621-8
- Nikkaji
- J2.840.587A
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 828
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 123 · 123-127°C
- 끓는 점
- 739.1 · 739.1±60.0 °C(Predicted)
- 밀도
- 1.252 · 1.252
- 저장 조건
- Refrigerator
- 용해도
- 아세토니트릴(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 4.36 · 4.36±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChIKey
- BZCALJIHZVNMGJ-HSZRJFAPSA-N
- SMILES
- O1C2=CC(OCC3C=CC=C(C4=C(C)C=C(OCCCS(C)(=O)=O)C=C4C)C=3)=CC=C2[C@H](CC(O)=O)C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
응용 분야
개요The free fatty acid receptor 1 (FFAR1; GPR40) is highly expressed in pancreatic β-cells and activated by medium and long-chain fatty acids. There is evidence of a link between FFAR1 (GPR40) and the ability of fatty acids to amplify glucose-stimulated insulin secretion, making this signaling pathway a potential target for regulating diabetes, obesity, and other metabolic disorders. TAK-875 is a selective FFAR1 (GPR40) agonist (EC50 = 26 nM) that does not exhibit activity on the related FFARs FFAR2 (GPR43) or FFAR3 (GPR41).
용도TAK-876 is a selective G protein-coupled receptor 40 (GPR40) agonist. TAK-876 is a novel oral medication that has been developed to improve the secretion of insulin in a glucose-dependent manner, whic h has the potential to improve the control of blood sugar levels without the risk of hypoglycemia.
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