기본 정보
- CAS
33159-27-2- 표준 SMILES
CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2- InChIKey
IWCWQNVIUXZOMJ-MISYRCLQSA-N- 분자식
- C20H28O5S
- 평균 분자량
- 380.5 g/mol
- 단동위원소 질량
- 380.16574516
개요
Ecabet is a diterpenoid.
이름 및 식별자
- 우선 이름
- Ecabet
- IUPAC
- (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
- 현지명
- 에카벳
- 영어명
- Ecabet
- 분자식
- C20H28O5S
- 분자량
- 380.5
이름 및 동의어
Ecabet33159-27-2Ecabetum12-sulfodehydroabietic acidDTXSID70468812K02669KWPDTXCID5026881(1R,4AS,10AR)-1,4A-DIMETHYL-7-(PROPAN-2-YL)-6-SULFO-1,2,3,4,4A,9,10,10A-OCTAHYDROPHENANTHRENE-1-CARBOXYLIC ACID1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-1-phenanthrenecarboxylic acid 6-sodium saltRefChem:136197Ecabet [INN](1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
이름 더 보기
에카벳Abietic acid, dehydro-6-sulfo- (6CI)Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-12-sulfo- (8CI)1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, (1R,4aS,10aR)-1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, [1R-(1α,4aβ,10aα)]-
Ecabet (INN)13-Isopropyl-12-sulfopodocarpa-8,11,13-trien-15-oic acidC20H28O5SNCGC00181160-01Ecabetum [INN-Latin](1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-6-sulfo-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acidUNII-2K02669KWPMFCD11044526
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 666
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Solubility4.26e-03 g/L
Physical DescriptionSolid
물리화학적 성질
- 밀도
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- -0.31 · -0.31±0.60(Predicted)
- InChIKey
- IWCWQNVIUXZOMJ-MISYRCLQSA-N
- SMILES
- [C@@]1(C)(C(O)=O)[C@@]2([H])[C@@](C)(C3=C(CC2)C=C(C(C)C)C(S(O)(=O)=O)=C3)CCC1
화학 및 산업
약리 정보
Mechanism of Action
Ecabet reduces the survival of H. pylori in the stomach and inhibits pepsin activity in the gastric juice of experimental animals. Here we have investigated the effects of ecabet on some of the factors involved in the dynamics of the mucosal barrier, i.e. pepsins and mucins. Pepsin, acid and Helicobacter pylori are major factors in the pathophysiology of peptic ulcer disease and reflux oesophagitis. Ecabet also acts as an inhibitor of H. pylori NADPH oxidase as well as urease. Inhibition of these enzymes prevents bacterial adhesion to gastric mucosa.
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved.
Cellular LocationsCytoplasm
공급사23 곳
北京华美互利生物化工010-56205725 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…