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甘氨鹅脱氧胆酸, ABCB11

  • CAS编号: 640-79-9
  • 分子式: C26H43NO5
  • 分子量: 449.62
  • PubChem编号: 12544
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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
G425251-1ml
1ml 现货 Stock Image

基本描述

英文别名 [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid | 451ZNJ667Y | ST 24:1;O3;G | DTXSID301020165 | GLYCINE, N-((3.ALPHA.,5.BETA.,7.ALPHA.)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)- | Glycylchenodeoxycholic acid | Chenodeoxyglycocholate | Cheno
规格或纯度 Moligand™, 10mM in DMSO
英文名称 Glycochenodeoxycholic acid
储存温度 -80℃储存
运输条件 超低温冰袋运输
作用机制 ABCB11

关联靶点(人)

ABCB11 Tchem 胆盐输出泵(Bile salt export pump) (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)
NR1H4 Tclin Bile acid receptor FXR (6228 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC10A2 Tclin Ileal bile acid transporter (415 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GPBAR1 Tchem G-protein coupled bile acid receptor 1 (1723 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 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
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

关联靶点(其它种属)

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
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
Slc10a2 Ileal sodium/bile acid cotransporter (17 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
Slco1a3 Solute carrier organic anion transporter family member 1A3 (65 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 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
INCHI 1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
InChi Key GHCZAUBVMUEKKP-GYPHWSFCSA-N
Smiles CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
Isomeric SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
分子量 449.62
Reaxy-Rn 28775435
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28775435&ln=

化学和物理性质

分子量 449.600 g/mol
XLogP3 4.300
氢键供体数Hydrogen Bond Donor Count 4
氢键受体数Hydrogen Bond Acceptor Count 5
可旋转键计数Rotatable Bond Count 6
精确质量Exact Mass 449.314 Da
单同位素质量Monoisotopic Mass 449.314 Da
拓扑极表面积Topological Polar Surface Area 107.000 Ų
重原子数Heavy Atom Count 32
形式电荷Formal Charge 0
复杂度Complexity 727.000
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 10
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

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

此产品的引用文献

引用文献

1. Wei Xu, Yingying Kong, Tuo Zhang, Zhihua Gong, Wenjun Xiao.  (2022)  L-Theanine regulates lipid metabolism by modulating gut microbiota and bile acid metabolism.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  103  (3): (1283-1293).  [PMID:36087337] [10.1002/jsfa.12222]
2. Ma Wen, Yang Bingxin, Li Jun, Liu Mingxia, Li Xianjiang, Liu Huwei.  (2022)  Maltose-functional metal–organic framework assisted laser desorption/ionization mass spectrometry for small biomolecule determination.  MICROCHIMICA ACTA,  189  (7): (1-8).  [PMID:35689150] [10.1007/s00604-022-05338-x]
3. Xiaoxu Cheng, Zifeng Pi, Zhong Zheng, Shu Liu, Fengrui Song, Zhiqiang Liu.  (2022)  Combined 16S rRNA gene sequencing and metabolomics to investigate the protective effects of Wu-tou decoction on rheumatoid arthritis in rats.  JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,  1199  (123249).  [PMID:35447521] [10.1016/j.jchromb.2022.123249]
4. Shun Zhang, Ting Cai, Jing Lin, Jia-Juan Liu, Yong-Gang Zhao, Min-Yi Cao.  (2024)  Analysis of 15 bile acids in human plasma based on C18 functionalized magnetic organic polymer nanocomposite coupled with liquid chromatography-tandem mass spectrometry.  JOURNAL OF CHROMATOGRAPHY A,  1725  (464962).  [PMID:38704923] [10.1016/j.chroma.2024.464962]
5. Qian Fang, Xiaoying Hou, Limei Fan, Yufei Deng, Xiaoxuan Li, Hongyun Zhang, Haiping Wang, Zhengqi Fu, Binlian Sun, Xiji Shu, Hongzhi Du, Yuchen Liu.  (2025)  Gut microbiota derived DCA enhances FOLFOX efficacy via Ugt1a6b mediated enterohepatic circulation in colon cancer.  PHARMACOLOGICAL RESEARCH,  213  (107636).  [PMID:39894186] [10.1016/j.phrs.2025.107636]
6. Huisheng Zhou, Xi Zhou, Guobin Huang, Yuanyuan Zhao, Peixiang Lan, Zhishui Chen.  (2025)  Inhibition of ferroptosis protects intrahepatic bile duct cells against ischemia–reperfusion and bile salt toxicity.  BIOCHEMICAL PHARMACOLOGY,  (116788).  [PMID:39890033] [10.1016/j.bcp.2025.116788]
7. Wen Ma, Mingxia Liu, Mengling Tu, Gang Wang, Jun Li, Fen Liu, Jian Yang, Xianjiang Li.  (2024)  Novel multi-layered MXene as laser desorption ionization mass spectrometry matrix for rapid detection of small biomolecules.  CHEMICAL ENGINEERING JOURNAL,  500  (157466).  [10.1016/j.cej.2024.157466]

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