简介名称和标识符别名信息物化性质相关文献专业数据库参考化合物详情（旧版）相关产品

双羟萘酸噻嘧啶 | 516-50-7

中文名称：双羟萘酸噻嘧啶

英文名称： Taurodeoxycholic acid

CAS No.： 516-50-7

分子式： C₂₆H₄₅NO₆S

分子量： 499.7036

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：双羟萘酸噻嘧啶结构式

PubChem CID： 2733768

价格行情：双羟萘酸噻嘧啶价格

快速询单国内供应商

双羟萘酸噻嘧啶的其他展现形式

相关化合物

牛磺熊去氧胆酸

N-(3alpha,7beta-Dihydroxy-5beta-cholan-24-oyl)taurine

CAS No.：14605-22-2
牛黄胆酸

TAUROCHOLIC ACID

CAS No.：81-24-3
Taurolithocholsaeure

CAS No.：78432-15-2
Taurolithocholsaeure

CAS No.：69320-22-5
Taurolithocholsaeure

CAS No.：111637-42-4
Ethanesulfonic acid,2-[[(5b,7a,12a)-7,12-dihydroxy-24-oxocholan-24-yl]amino]- (9CI)

CAS No.：5571-91-5

简介

Taurodeoxycholic acid 是一种胆汁酸，可稳定线粒体膜，减少自由基形成。Taurodeoxycholic acid 通过阻断钙介导的凋亡通路以及 Caspase-12 激活来抑制凋亡 (apoptosis)。Taurodeoxycholic acid 对 3-硝基丙酸诱导或稳定遗传的亨廷顿舞蹈病 (HD) 小鼠模型具有神经保护作用。

名称和标识符

InChIKey	AWDRATDZQPNJFN-VAYUFCLWSA-N
Inchi	InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
SMILES	CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

别名信息

- 中文别名 -

2-[4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-二羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊并[a]菲-17-基]戊酰氨基]乙烷磺酸
牛黄去氧胆酸
双羟萘酸噻嘧啶

- 英文别名 -

Ethanesulfonic acid,2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-
Taurodeoxychloic Acid
2-[4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoylamino]ethanesulfonic acid
Taurodeoxychloic Aci
TAURODEOXYCHLOIC ACID ALSO SEE T009005

Taurodeoxychloic Acid Discontinued See T009005
Taurodeoxycholic acid
[3H]-Deoxycholyltaurine
2-[[(3a,5,12)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]ethanes
Deoxycholyltaurine
Deoxytaurocholic Acid
N-(3a,12a-Dihydroxy-5-cholan-24-oyl)taurine
taurochenodeoxycholic acid
Taurodesoxycholic Acid
Tudcabil
DTXSID00873418
N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)-taurine
MS-29280
Taurodeoxycholic acid [WHO-DD]
W-204225
LMST05040013
N-(3a,12a-dihydroxy-5b-cholan-24-oyl)-Taurine
Sodium taurodeoxylate
Taurodesoxycholate
TDCA
Deoxycholyltaurine
Deoxytaurocholic acid
TDCA
Tudcabil
CS-0013959
TAURODEOXYCHLOIC ACID
20668G0RPI
6SB
Taurodesoxycholsaure
Taurodesoxycholic acid
516-50-7
3.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-CHOLANIC ACID-24-TAURINE
TAURODEOXYCHOLIC ACID
Spectrum5_002017
Taurodeoxycholate
BRD-K33572481-001-01-0
Deoxy Cholate
2-[(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid
BDBM50375592
SCHEMBL27304
TAURINE, N-(3.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-CHOLAN-24-OYL)-
Taurodeoxycholic acid sodium salt
2-(((3.ALPHA.,5.BETA.,12.ALPHA.)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ETHANESULFONIC ACID
Deoxytaurocholic acid
HY-209
SODIUM TAURODEOXYCHOLATE
CHEBI:9410
J339.140J
HY209
CHEMBL412272
HY-B1899
Deoxytaurocholate
Q7688896
Ethanesulfonic acid, 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)-
UNII-20668G0RPI
NS00120261
CCRIS 712
PD162598
SCHEMBL15049189
SCHEMBL15049189
Tauroursodeoxycholic acid

物化性质

实验特性

LogP	4.86900
PSA	132.31000

计算特性

精确分子量	499.29700
氢键供体数量	4
氢键受体数量	6
可旋转化学键数量	7
同位素质量	499.29675933g/mol
重原子数量	34
复杂度	858
同位素原子数量	0
确定原子立构中心数量	10
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	3.6
拓扑分子极性表面积	132Å²

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专业数据库参考

PubChemId	2733768

化合物详情（旧版）

SMILES

OS(=O)(=O)CCNC(=O)CCC(C)C1C2(C)C(CC1)C3C(CC2O)C4(C)C(CC(O)CC4)CC3

双羟萘酸噻嘧啶 | 516-50-7

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