기본 정보
- 표준 SMILES
CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)O- InChIKey
SRFCAWATPLCLMG-UHFFFAOYSA-N- 분자식
- C25H25N3O4S
- 평균 분자량
- 463.6 g/mol
- 단동위원소 질량
- 463.15657746
이름 및 식별자
- 우선 이름
- Sipoglitazar
- IUPAC
- 3-[3-ethoxy-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
- 현지명
- 시포글리타자르
- 영어명
- Sipoglitazar
- 분자식
- C25H25N3O4S
- 분자량
- 463.5487
이름 및 동의어
Sipoglitazar342026-92-040O898CJZBTAK-6543-(3-Ethoxy-1-(4-((2-phenyl-1,3-thiazol-4-yl)methoxy)benzyl)-1H-pyrazol-4-yl)propanoic acidDTXSID508703313-[3-ethoxy-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic Acid3-(3-ethoxy-1-((4-((2-phenyl-1,3-thiazol-4-yl)methoxy)phenyl)methyl)pyrazol-4-yl)propanoic acidsipoglitazarum3-(3-Ethoxy-1-{4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzyl}-1H-pyrazol-4-yl)propanoic acidRefChem:183229DTXCID50818076
이름 더 보기
시포글리타자르TAK654TAK 654CS-15683-[3-Ethoxy-1-[4-(2-phenyl-4-thiazolylMethoxy)benzyl]-1H-pyrazol-4-yl]propionic Acid3-[3-Ethoxy-1-[4-[(2-phenyl-1,3-thiazol-4-yl)Methoxy]benzyl]-1H-pyrazol-4-yl]propionic Acid1H-Pyrazole-4-propanoic acid, 3-ethoxy-1-[[4-[(2-phenyl-4-thiazolyl)methoxy]phenyl]methyl]-
Sipoglitazar [INN]UNII-40O898CJZB3-Ethoxy-1-[[4-[(2-phenyl-4-thiazolyl)methoxy]phenyl]methyl]-1H-pyrazole-4-propanoic acid3-[3-ethoxy-1-({4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl}methyl)-1H-pyrazol-4-yl]propanoic acidorb1699299SCHEMBL5380746CHEMBL3526439SRFCAWATPLCLMG-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
342026-92-0- PubChem CID
- 9825652
- DTXSID
DTXSID50870331- ChEMBL
CHEMBL3526439- UNII
- 40O898CJZB
- Nikkaji
- J3.083.755J
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 598
물리화학적 성질
- 녹는점
- 111 · 111-112oC
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학 및 산업
응용 분야
용도Sipoglitazar is a novel antidiabetic agent. Sipoglitazar displays triple agonistic activities on the human peroxisome proliferator-activated receptors, hPPAR-γ, -α, and -δ.
공급사27 곳
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