Ethanesulfonic acid, 2-[[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1) 2-[[(3alpha,5beta,7alpha)-3,7-二羟基-24-氧代胆烷-24-基]氨基]-乙磺酸钠盐

CAS 6009-98-9 MFCD00036745

化学结构图

6009-98-9
SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O.[Na+]

化学属性

Mol. FormulaC₂₆H₄₄NNaO₆S
Mol. Weight521.69
Melting Point>172ºC (dec.)
Boiling Point
Flash Point-

别名和识别编码

Chemical NameEthanesulfonic acid, 2-[[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1)
MDL Number-
CAS Number6009-98-9
Synonym 2-([3α,7α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid sodium salt 2-[(3ALPHA,7ALPHA-DIHYDROXY-24-OXO-5BETA-CHOLAN-24-YL)AMINO]ETHANESULFONIC ACID SODIUM SALT 5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE-3ALPHA,7ALPHA-DIOL SODIUM SALT SODIUM TAUROCHENODEOXYCHOLATE SODIUM TAUROCHENODEOXYCHOLIC ACID Sodium taurochenodeoxycholate TAUROCHENODEOXYCHOLIC ACID SODIUM Taurochenodeoxycholic acid sodium salt, 2-([3α,7α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid sodium salt, 3α,7α-Dihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide sodium salt Taurochenodeoxycholic Acid Sodium Salt {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number3901205
PubChem Substance ID23664008
Chemical Name Translation2-[[(3alpha,5beta,7alpha)-3,7-二羟基-24-氧代胆烷-24-基]氨基]-乙磺酸钠盐
InChIKeyIYPNVUSIMGAJFC-JUWYWQLMSA-M
LabNetwork Molecule IDLN01304104
InChIInChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-;/m1./s1
Canonical SMILES-
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分类

  • {SNA} Anionic Detergents, Antigen-Vaccine Preparation, Bile Acid Metabolism, Bile Salts, Bile acids and Derivatives, Biochemicals and Reagents, Detergents, Detergents N to Z, Detergents by Applications, Drug Delivery-Liposomes, Lipids, Metabolic Pathways, Metabolomics, Sterol Lipids
  • {SNA} Anionic Detergents
  • {SNA} Anionic Detergents, Antigen-Vaccine Preparation, Bile Acid Metabolism, Bile Salts, Bile acids and Derivatives, Biochemicals and Reagents, Detergents, Detergents N to Z, Detergents by Applications, Drug Delivery-Liposomes, Lipids,

相关文献及参考

  • [2]. Zhou C, et al. The effects of taurochenodeoxycholic acid in preventing pulmonary fibrosis in mice. Pak J Pharm Sci. 2013 Jul;26(4):761-5.
  • [3]. Uchida A, et al. Taurochenodeoxycholic acid ameliorates and ursodeoxycholic acid exacerbates small intestinal inflammation. Am J Physiol. 1997 May;272(5 Pt 1):G1249-57.
  • [4]. Liu M, et al. Effects of taurochenodeoxycholic acid on adjuvant arthritis in rats. Int Immunopharmacol. 2011 Dec;11(12):2150-8.
  • [1]. Wang X, et al. Taurochenodeoxycholic acid induces NR8383 cells apoptosis via PKC/JNK-dependent pathway. Eur J Pharmacol. 2016 Sep 5;786:109-15.
  • [1]. Wang X, et al. Taurochenodeoxycholic acid induces NR8383 cells apoptosis via PKC/JNK-dependent pathway. Eur J Pharmacol. 2016 Sep 5;786:109-15.
  • [2]. Zhou C, et al. The effects of taurochenodeoxycholic acid in preventing pulmonary fibrosis in mice. Pak J Pharm Sci. 2013 Jul;26(4):761-5.
  • [3]. Uchida A, et al. Taurochenodeoxycholic acid

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
Storage condition -20 -20°C, Hygroscopic

其他信息

  • F:3-10
  • MOL 文件:6009-98-9.mol
  • Sigma Aldrich:6009-98-9(sigmaaldrich)

系列性分类


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