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기본 정보
- CAS
71950-66-8- 표준 SMILES
Cc1cc(O)c(C)c(O)c1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)O)c(O)c2C)c(O)c1C- InChIKey
MGGMNKJGDSNTKZ-UHFFFAOYSA-N- 분자식
- C29H30O10
- 평균 분자량
- 538.549 g/mol
- 단동위원소 질량
- 538.18389716
이름 및 식별자
- 우선 이름
- Thielavin A
- IUPAC
- 4-({4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,5,6-trimethylbenzoyl}oxy)-2-hydroxy-3,5,6-trimethylbenzoic acid
- 현지명
- 티엘라빈A
- 영어명
- thielavin A
- 분자식
- C29H30O10
- 분자량
- 538.54
이름 및 동의어
티엘라빈Athielavin A4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,5,6-trimethylbenzoic acid 4-carboxy-3-hydroxy-2,5,6-trimethylphenyl esterBenzoic acid, 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,5,6-trimethyl-, 4-carboxy-3-hydroxy-2,5,6-trimethylphenyl ester
데이터베이스 식별자
- CAS
71950-66-8- PubChem CID
- 194424
- DTXSID
DTXSID10222236- ChEBI
CHEBI:212063- Nikkaji
- J133.882J
물성
물리화학적 성질
- 녹는점
- 235 · 235-236 °C
- 끓는 점
- 850 · 850.0±65.0 °C(Predicted)
- 밀도
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMF: souble; DMSO: souble; Ethanol: soluble
- 물리적 상태
- 백색 내지 회백색 분말.
- 산도 계수 (pKa)
- 2.82 · 2.82±0.28(Predicted)
화학 및 산업
응용 분야
개요Thielavin A is a fungal metabolite originally isolated from T. terricola that is related to thielavin B . Thielavin A inhibits COX, blocking both the conversion of arachidonic acid to prostaglandin H2 (PGH2; ) and the conversion of PGH2 to PGE2 (; IC50s = 10 and 40 μM, respectively). Thielavin A also inhibits glucose-6-phosphatase in rat liver microsomes (IC50 = 4.6 μM). It is a non-competitive inhibitor of α-glucosidase from S. cerevisiae (IC50 = 23.8 μM; Ki = 27.8 μM).
용도The fungal metabolite, thielavin A, and its relatives are glucose-6-phosphatase inhibitors. The three benzoic acid units are essential for inhibition. Thielavin A was originally isolated as a inhibitor of prostaglandin biosynthesis. The closely related thielavin B is a telomerase and cell wall transglycosylation inhibitor.
공급사12 곳
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