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estrone-3-sulphate, OATP1B1 抑制剂

COA COA
  • CAS编号: 481-97-0
  • 分子式: C18H22O5S
  • 分子量: 350.43
  • PubChem编号: 3001028
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货号 (SKU) 包装规格 是否现货 价格 数量
E610193-1mg
 1mg 现货 Stock Image
E610193-5mg
 5mg 现货 Stock Image
E610193-10mg
 10mg 现货 Stock Image
E610193-25mg
 25mg 现货 Stock Image
大包装询价 收藏夹 比较  SDS下载  DATASHEET  质量标准
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OATP1B1 Inhibitor (7) 代谢物 (8911)
main product photo

基本描述

别名 雌酮-3-硫酸盐
英文别名 estrone hydrogen sulfate | estrone hydrogen sulphate | estrone-3-sulfate | Ogen
规格或纯度 Moligand™, ≥98%
英文名称 estrone-3-sulphate
储存温度 -20°C储存,充氩
运输条件 超低温冰袋运输
作用类型 抑制剂
作用机制 OATP1B1 抑制剂
纯度 ≥98%

关联靶点（人）

SLCO1B1 Tchem 溶质载体有机阴离子转运蛋白家族成员1B1(Solute carrier organic anion transporter family member 1B1) (2 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
ABCC1 Tchem 多药耐药相关蛋白1(Multidrug resistance-associated protein 1) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
STS Tchem Steryl-sulfatase (1865 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC22A8 Tclin Solute carrier family 22 member 8 (241 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLCO1A2 Tchem Solute carrier organic anion transporter family member 1A2 (104 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC22A11 Tclin Solute carrier family 22 member 11 (82 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLCO4A1 Tbio Solute carrier organic anion transporter family member 4A1 (14 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLCO3A1 Tbio Solute carrier organic anion transporter family member 3A1 (19 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ABCC11 Tbio ATP-binding cassette sub-family C member 11 (24 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1/Solute carrier organic anion transporter family member 1B1 (10 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点（其它种属）

Abcc1 Multidrug resistance-associated protein 1 (42 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Ptpn1 Protein-tyrosine phosphatase 1B (270 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Saccharomyces cerevisiae (19171 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slc10a1 Bile acid transporter (65 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slc22a20 Solute carrier family 22 member 20 (86 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slc22a6 Solute carrier family 22 member 6 (141 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slco1a1 Solute carrier organic anion transporter family member 1A1 (265 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slco1b2 Solute carrier organic anion transporter family member 1B2 (36 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ESR1 Estrogen receptor (4 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slc22a19 Putative organic anion transporter 5 (5 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slco1c1 Solute carrier organic anion transporter family member 1C1 (11 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slco1a5 Solute carrier organic anion transporter family member 1A5 (48 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slc51a Organic solute transporter subunit alpha (6 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLCO1A2 Solute carrier organic anion transporter family member (21 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IIUPAC Name [(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonic acid
INCHI 1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1
InChi Key JKKFKPJIXZFSSB-CBZIJGRNSA-N
Smiles O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)O
Isomeric SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
PubChem CID 3001028
分子量 350.43

化学和物理性质

溶解性 DMSO: 50 mg/mL (142.68 mM)
敏感性 对湿度敏感
分子量 350.400 g/mol
XLogP3 2.500
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 5
可旋转键计数Rotatable Bond Count 2
精确质量Exact Mass 350.119 Da
单同位素质量Monoisotopic Mass 350.119 Da
拓扑极表面积Topological Polar Surface Area 89.100 Ų
重原子数Heavy Atom Count 24
形式电荷Formal Charge 0
复杂度Complexity 624.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 4
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

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找到8个结果

批号(Lot Number) 证书类型 货号
L2410418 分析证书 E610193
L2410419 分析证书 E610193
L2410420 分析证书 E610193
L2410421 分析证书 E610193
L2410422 分析证书 E610193
L2410423 分析证书 E610193
L2410444 分析证书 E610193
L2410445 分析证书 E610193

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