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甘氨熊脱氧胆酸

4篇引用文献

COA

级别和纯度:

Moligand™

10mM in DMSO

CAS编号: 64480-66-6
分子式: C₂₆H₄₃NO₅
分子量: 449.62
MDL号: MFCD00137427
PubChem编号: 12310288

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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
G493993-1ml	1ml	现货

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Compound libraries (12333) 代谢物 (8911)

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基本描述

别名	N-(3α,7β-二羟基-5β-胆烷-24-氧基)甘氨酸 \| N-(3α,7β-二羟基-5β-cholan-24-oyl)甘氨酸 \| N-[(3α, 5β, 7β)-3,7-二羟基-24-氧代胆甾烷-24-基 ] 甘氨酸 \| 甘氨酰脱氧胆酸 \| 乌索脱氧胆基甘氨酸
英文别名	GUDCA \| AKOS027250703 \| Glycoursodeoxycholic acid \| UNII-PF1G5J2X2A \| Glycylursodeoxycholic acid \| N-[(3a,5b,7b)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine \| URSODEOXYCHOLYLGLYCINE, (+)- \| AS-58487 \| s6146 \| Ursodeoxycholylglycine \| LMST05030016 \| AKOS04076
规格或纯度	Moligand™, 10mM in DMSO
英文名称	Glycoursodeoxycholic Acid
生化机理	来源于酰基甘氨酸的次级胆汁酸。据报道甘氨脱氧胆酸 (GUDCA) 具有细胞保护和抗炎作用。
储存温度	-80℃储存
运输条件	超低温冰袋运输

关联靶点（人）

NR1H4 Tclin Bile acid receptor FXR (6228 活性数据)

点击查看靶蛋白信息： NR1H4

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)

点击查看靶蛋白信息： SLC10A2

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)

点击查看靶蛋白信息： GPBAR1

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）

Mus musculus (284745 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Nr1h4 Bile acid receptor (142 活性数据)

点击查看靶蛋白信息： Nr1h4

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)

点击查看靶蛋白信息： Slco1a1

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)

点击查看靶蛋白信息： Slc10a2

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)

点击查看靶蛋白信息： Slco1a5

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,7S,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-XROMFQGDSA-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

敏感性	对热敏感
熔点	233 °C
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 Å²
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

安全和危险性（GHS）

WGK Germany	3

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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批号(Lot Number)	证书类型	货号
K2208689	分析证书	G493993

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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. Cui Xiping, He Qiyi, Yang Huiyi, Chen Yingshan, Shen Ding, Eremin Sergei A., Mu Yunping, Zhao Suqing. (2021) Development of enzyme-free single-step immunoassays for glycocholic acid based on palladium nanoparticle-mediated signal generation. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 413 (23): (5733-5742). [PMID:34476526] [10.1007/s00216-021-03548-5]
3. Qiyi He, Yanxiong Fang, Huiyi Yang, Ding Shen, Yingshan Chen, Yingying Zhong, Xiangguang Li, Sergei A. Eremin, Xiping Cui, Suqing Zhao. (2021) Enhanced performance of a surface plasmon resonance-based immunosensor for the detection of glycocholic acid. Analytical Methods, 13 (16): (1919-1924). [PMID:33913980] [10.1039/D1AY00357G]
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]