ChemicalBook--->CAS DataBase List--->207737-97-1

207737-97-1

207737-97-1 Structure

207737-97-1 Structure
IdentificationBack Directory
[Name]

Taurodeoxycholic acid sodium salt monohydrate
[CAS]

207737-97-1
[Synonyms]

N-(Deoxycholyl)taurine sodium salt
SODIUM TAURODEOXYCHOLATE HYDRATE BIO
Taurodeoxycholic acid sodium hydrate
Taurodeoxycholic Acid-[d6] Sodium Salt
TAURODEOXYCHOLIC ACID SODIUM SIGMAULTRA
Taurodeoxycholic Acid sodium salt hydrat
Sodium Taurodeoxycholate Hydrate See T009005
2-([3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid
3α,12α-Dihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide sodium salt
Ethanesulfonic acid,2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]aMino]-, sodiuM salt, hydrate (1:1:)
2-[[(3alpha,5beta,12alpha)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonic acid monosodium salt hydrate
2-([3α,12α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid, Taurodeoxycholic acid sodium salt hydrate
Taurodeoxycholic acid hydrate sodium salt, 2-([3α,12α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid
Sodium taurodeoxycholate hydrate,2-([3α,12α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid, Taurodeoxycholic acid sodium salt hydrate
N-(Deoxycholyl)taurine sodium salt, Taurodeoxycholic acid sodium salt, 3α,12α-Dihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide sodium salt
[EINECS(EC#)]

805-952-8
[Molecular Formula]

C26H44NO6S.Na.H2O
[MDL Number]

MFCD00149238
[MOL File]

207737-97-1.mol
[Molecular Weight]

539.705
Chemical PropertiesBack Directory
[Melting point ]

168 °C (dec.)(lit.)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

H2O: soluble0.5M, clear, colorless to faintly yellow
[form ]

A crystalline solid
[color ]

White to off-white
[Water Solubility ]

H2O: 0.5M, clear, colorless to faintly yellow
[BRN ]

3901204
[InChIKey]

GFBBTUJLLSJWQW-RIIXSHNENA-N
[SMILES]

C[C@]12[C@H](C[C@]3([H])[C@]4(CC[C@@H](O)C[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)NCCS(O)(=O)=O)C)O.[NaH].O |&1:1,2,4,6,9,12,16,18,22,24,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[WGK Germany ]

3
[HS Code ]

29242998
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

Sodium taurodeoxycholate hydrate is a bile salt-related, anionic detergent used for isolation of membrane proteins including inner mitochondrial membrane proteins. It has also been used in a study to investigate polymorphic behavior in protein surfactant mixtures.
Sodium taurodeoxycholate hydrate has been used in a study to assess the effect of submicellar concentrations of bile salts on the lipid bilayer membrane. It has also been used in a study to investigate polymorphic behavior in protein-surfactant mixtures.
[Uses]

A hydrate form of sodium taurodeoxycholate (T009005), a steroid which rescues human colon cancer cells from apoptosis by activating EGFR-dependent PI3K/Akt signaling.
[General Description]

Sodium tauroursodeoxycholate is a bile salt which is naturally present in the small bowel.
[storage]

-20°C
[Purification Methods]

The Na salt is dissolved in the smallest volume of H2O, a saturated solution of aqueous NaCl/Et2O is added and the mixture is stored at 0o for 24hours. Then shake the mixture well, keep it in the cold for another day and filter the crystals with gentle shaking, wash them with ice-cold saturated aqueous NaCl saturated with Et2O, dry them over CaCl2 and extract them with absolute EtOH. Add ~10mL of H2O to the solid followed by enough Et2O to incipient cloudiness. Store it overnight at 0o. Add ice-cold Et2O to make 250mL, collect the crystals, wash them with Et2O then pet ether and dry them in air. The purification can be repeated with NaCl and Et2O with ~85% recovery. NB: precipitation will not occur unless enough H2O is present. Its solubility in H2O is 10%. [Cortese J Am Chem Soc 59 2532 1937.] The free acid has m 141-144o. [Norman Ark Kemi 8 331 1956.] It forms mixed micelles and solubilises some membrane proteins [Hajjar et al. J Biol Chem 2 5 8 192 1983]. [Beilstein 10 IV 1611.]
[Mode of action]

Sodium taurodeoxycholate hydrate functions as a surfactant in experimental applications. It reduces the surface tension of liquids, allowing for improved solubility and dispersion of substances in aqueous solutions. Sodium Taurodeoxycholate Hydrate interacts with lipid molecules, disrupting their organization and facilitating the emulsification of fats. Sodium taurodeoxycholate hydrate also plays a role in cell membrane permeabilization, aiding in the uptake of hydrophobic compounds by cells. At the molecular level, Sodium taurodeoxycholate hydrate interacts with cholesterol and phospholipids, influencing their arrangement and fluidity within lipid bilayers. It can form micelles, which assist in solubilising poorly water-soluble substances for experimental purposes.
Spectrum DetailBack Directory
[Spectrum Detail]

Sodium taurodeoxycholate hydrate(207737-97-1)1HNMR
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