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(1R,4aS,10aR)-7-异丙基-1,4a-二甲基-6-磺基-1,2,3,4,4a,9,10,10a-八氢菲-1-羧酸

更新时间:2025-08-25 10:16:04

(1R,4aS,10aR)-7-异丙基-1,4a-二甲基-6-磺基-1,2,3,4,4a,9,10,10a-八氢菲-1-羧酸结构式
(1R,4aS,10aR)-7-异丙基-1,4a-二甲基-6-磺基-1,2,3,4,4a,9,10,10a-八氢菲-1-羧酸结构式
品牌特惠专场
常用名 (1R,4aS,10aR)-7-异丙基-1,4a-二甲基-6-磺基-1,2,3,4,4a,9,10,10a-八氢菲-1-羧酸 英文名 Ecabet
CAS号 33159-27-2 分子量 380.49800
密度 1.241 g/cm3 沸点 N/A
分子式 C20H28O5S 熔点 N/A
MSDS N/A 闪点 N/A

 用途


Ecabet钠(TA-2711)目前通过抑制活性氧的产生和促进幽门螺杆菌的根除被应用于一些临床胃肠道疾病[1]。Ecabet钠减少细胞凋亡[2]

 名称

中文名 依卡倍特
英文名 (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
英文别名 更多

 物理化学性质

密度 1.241 g/cm3
分子式 C20H28O5S
分子量 380.49800
精确质量 380.16600
PSA 100.05000
LogP 5.23240
InChIKey IWCWQNVIUXZOMJ-MISYRCLQSA-N
SMILES CC(C)c1cc2c(cc1S(=O)(=O)O)C1(C)CCCC(C)(C(=O)O)C1CC2
折射率 1.562
储存条件 室温,干燥,密封

 安全信息

危害码 (欧洲) Xi

 合成线路

~%

(1R,4aS,10aR)-7-异丙基-1,4a-二甲基-6-磺基-1,2,3,4,4a,9,10,10a-八氢菲-1-羧酸结构式

(1R,4aS,10aR)-7...

33159-27-2

文献:Journal of the American Chemical Society, , vol. 63, p. 1759 Journal of the American Chemical Society, , vol. 61, p. 247 Journal of the American Chemical Society, , vol. 63, p. 1838,1841 Journal of the American Chemical Society, , vol. 60, p. 2631,2633 Journal of the American Chemical Society, , vol. 61, p. 2528,2530

~%

(1R,4aS,10aR)-7-异丙基-1,4a-二甲基-6-磺基-1,2,3,4,4a,9,10,10a-八氢菲-1-羧酸结构式

(1R,4aS,10aR)-7...

33159-27-2

文献:Journal of the American Chemical Society, , vol. 61, p. 247 Journal of the American Chemical Society, , vol. 60, p. 2631,2633 Journal of the American Chemical Society, , vol. 61, p. 2528,2530

 靶点实验

查看更多实验

实验名称:Compound was evaluated for inhibition of rat Gabra1 in an in vitro assay with cellula...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit alpha-1
External Id:CHEMBL5291801
实验名称:Binding affinity towards rat Gabra1 in an in vitro assay with cellular components mea...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit alpha-1
External Id:CHEMBL5291798
实验名称:Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
来源:ChEMBL
靶标:Staphylococcus aureus
External Id:CHEMBL4296184
实验名称:Binding affinity towards human ESR1 in an in vitro cell free assay (NIBR assay) measu...
来源:ChEMBL
靶标:Estrogen receptor
External Id:CHEMBL5291791
实验名称:Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
来源:ChEMBL
靶标:Klebsiella pneumoniae
External Id:CHEMBL4296186
实验名称:Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA...
来源:ChEMBL
靶标:Escherichia coli
External Id:CHEMBL4296185
实验名称:Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry
来源:NCGC
靶标:N/A
External Id:TRND-SARS-CoV-2-cytotox-48hr
实验名称:Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry
来源:NCGC
External Id:TRND-SARS-CoV-2-PP
实验名称:Binding affinity towards human EDNRA in an in vitro assay with cellular components me...
来源:ChEMBL
靶标:Endothelin-1 receptor
External Id:CHEMBL5291785
实验名称:Binding affinity towards human DRD2 in an in vitro assay with cellular components mea...
来源:ChEMBL
靶标:D(2) dopamine receptor
External Id:CHEMBL5291781
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 英文别名

Ecabet
sulfodehydroabietic acid
Ecabetum
Gastrom
12-sulfodehydroabietic acid
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