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Sodium taurochenodeoxycholate structure, CAS 6009-98-9

Sodium taurochenodeoxycholate

CAS Number6009-98-9

Synonyms2-(((3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid monosodium salt; Ethanesulfonic acid, 2-[[(3α,5β,7α,8ξ)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1); Ethanesulfonic acid, 2-(((3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt; taurochenodeoxycholic acid sodium salt; Sodium 2-{[(3α,5β,7α,8ξ)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate; MFCD00036745

Molecular FormulaC26H44NNaO6S

Molecular Weight521.69

Purity≥95.0 (TLC)%

Density1.164 g/mL at 25 °C(lit.)

Boiling Point215 °C(lit.)

Melting Point

Flash Point

Appearancepowder

EINECS

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Cat. No.: 2A-9032397 Purity: ≥95.0 (TLC)%
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Quality Control of [ 6009-98-9 ] Purity: ≥95.0 (TLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number6009-98-9
Catalog No.2A-9032397
Chinese Name牛磺鹅去氧胆酸钠
Synonyms2-(((3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid monosodium salt; Ethanesulfonic acid, 2-[[(3α,5β,7α,8ξ)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1); Ethanesulfonic acid, 2-(((3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt; taurochenodeoxycholic acid sodium salt; Sodium 2-{[(3α,5β,7α,8ξ)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate; MFCD00036745
Molecular FormulaC26H44NNaO6S
Molecular Weight521.69
Purity≥95.0 (TLC)
Density1.164 g/mL at 25 °C(lit.)
Boiling Point215 °C(lit.)
Appearancepowder
Storage ConditionThis product should be sealed with argon gas and s
ApplicationTaurochenodeoxycholic acid sodium salt (12-Deoxycholyltaurine sodium salt) is one of the main bioactive substances of animal bile acids. Taurochenodeoxycholic acid can induce apoptosis and has obvious
PubChem ID24900362
MDL NumberMFCD00036745
SMILES[H][C@@]12[C@]([C@](CC[C@@H](O)C3)(C)[C@]3([H])C[C@H]2O)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(NCCS(=O)([O-])=O)=O.[Na+]
InChI1S/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
InChI KeyIYPNVUSIMGAJFC-ULWOGUKGSA-M
Beilstein/REAXYS3901205
NACRES CodeNA.25
UNSPSC41141802
Hazard Symbolstransportation
MSDSmsds/32397_1_6009_98_9.pdf
BioactivityTaurochenodeoxycholic acid sodium salt (12-Deoxycholyltaurine sodium salt) is one of the main bioactive substances of animals' bile acid. Taurochenodeoxycholic acid induces apoptosis and shows obvious anti-inflammatory and immune regulation properties[1][2]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Inflammation/Immunology Target Human Endogenous Metabolite In Vitro Taurochenodeoxycholic acid dramatically improves the apoptosis rate of NR8383 cells in a concentration-dependent manner. In the meantime, Taurochenodeoxycholic acid significantly augments PKC mRNA levels, activities and increases JNK, caspase-3 and caspase-8 mRNA expression levels, activities[1]. In Vivo Taurochenodeoxycholic acid (0.05, 0.1g/kg) decreases the pulmonary coefficient in the model mice and reduces the pathological damages on their lungs; it can decrease the expression levels of TNF-α and TIMP-2 in pulmonary tissues in the pulmonary fibrosis mice and has no significant effects on MMP2[2]. Taurochenodeoxycholic acid significantly normalizes the clinical inflammatory parameters, prevented indomethacin-induced increases in the biliary contents of secondary bile acids and hydrophobicity index, and tended to attenuate the intestinal inflammation[3]. Taurochenodeoxycholic acid significantly suppresses paw swelling and polyarthritis index, increases the loss body weight and index of thymus and spleen, and amends radiologic changes in AA rats. The overproduction and mRNA expression of TNF-α, IL-1β and IL-6 are remarkably suppressed in serum and synovium tissue of all TCDCA-treated rats[4]. References [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 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. Chemical & Physical Properties Density 1.164 g/mL at 25 °C(lit.) Boiling Point 215 °C(lit.) Molecular Formula C26H44NNaO6S Molecular Weight 521.685 Flash Point 195 °F Exact Mass 521.278687 PSA 135.14000 LogP 4.52640 Index of Refraction n20/D 1.558(lit.) InChIKey IYPNVUSIMGAJFC-HLEJRKHJSA-M SMILES CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.[Na+]
Use ofTaurochenodeoxycholic acid sodium salt (12-Deoxycholyltaurine sodium salt) is one of the main bioactive substances of animals' bile acid. Taurochenodeoxycholic acid induces apoptosis and shows obvious anti-inflammatory and immune regulation properties[1][2]. Properties Articles38 Name Sodium taurochenodeoxycholate Synonym More Synonyms Taurochenodeoxycholic acid sodium salt Biological Activity Description Taurochenodeoxycholic acid sodium salt (12-Deoxycholyltaurine sodium salt) is one of the main bioactive substances of animals' bile acid. Taurochenodeoxycholic acid induces apoptosis and shows obvious anti-inflammatory and immune regulation properties[1][2]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Inflammation/Immunology Human Endogenous Metabolite References [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. Chemical & Physical Properties Molecular Formula C26H44NNaO6S Exact Mass 521.278687 PSA 135.14000 LogP 4.52640 InChIKey IYPNVUSIMGAJFC-HLEJRKHJSA-M
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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