ChemicalBook >> CAS DataBase List >>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

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

CAS No.
516-50-7
Chemical Name:
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
Synonyms
Taurodesoxycholic Acid;Tudcabil;Deoxycholyltaurine;Apigenine Impurity 3;Deoxytaurocholic Acid;Taurodeoxychloic Acid;Taurosulfodeoxycholic acid;Taurodesoxycholic Acid(TDCA);Taurodeoxycholic Acid Monomer;Taurine isoursodeoxycholic acid
CBNumber:
CB51236276
Molecular Formula:
C26H45NO6S
Molecular Weight:
499.7
MDL Number:
MOL File:
516-50-7.mol
Last updated:2023-06-08 09:03:02

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 Properties

Melting point 175-200 °C
Density 1.216±0.06 g/cm3(Predicted)
storage temp. -20°C
solubility DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
form Solid
pka 1.42±0.50(Predicted)
color White to Off-White
Stability Hygroscopic
FDA UNII 20668G0RPI

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS02,GHS08
Signal word  Danger
NFPA 704
3
0 0

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 price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
American Custom Chemicals Corporation BBF0000260 TAURODEOXYCHOLIC ACID 95.00% 516-50-7 5MG $496.3 2021-12-16 Buy
Product number Packaging Price Buy
BBF0000260 5MG $496.3 Buy

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 Chemical Properties,Uses,Production

Uses

Deoxycholyltaurine rescues human colon cancer cells from apoptosis by activating EGFR-dependent PI3K/Akt signaling.

Definition

ChEBI: A bile acid taurine conjugate of deoxycholic 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 Preparation Products And Raw materials

Raw materials

Preparation Products

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2-[[(3a,5,12)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic Acid Deoxycholyltaurine Deoxytaurocholic Acid N-(3a,12a-Dihydroxy-5-cholan-24-oyl)taurine Taurodeoxychloic Acid Tudcabil 2-[[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid N-(2-Sulfoethyl)-3α,12α-dihydroxy-5β-cholan-24-amide Taurodeoxychloic Acid Discontinued See T009005 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 Ethanesulfonic acid, 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]- 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid Taurodeoxycholic Acid MaxSpec? Standard Taurodeoxycholic Acid Discontinued See T009005 Taurosulfodeoxycholic acid Taurodesoxycholic Acid Taurodesoxycholic Acid(TDCA) Taurodeoxycholic Acid Monomer Apigenine Impurity 3 Taurine isoursodeoxycholic acid 516-50-7 Chiral Reagents Intermediates & Fine Chemicals Pharmaceuticals Steroids