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Sodium taurodeoxycholate

Sodium taurodeoxycholate structure

CAS No:
1180-95-6
Formula:
C26H45NO6S.Na
Chemical Name:
Sodium taurodeoxycholate
Synonyms:
Ethanesulfonic acid,2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-,monosodium salt;Taurine,N-(3α,12α-dihydroxy-5β-cholan-24-oyl)-,monosodium salt;Taurodeoxycholic acid sodium salt;Cholane,ethanesulfonic acid deriv.;Sodium taurodeoxycholate;Taurodeoxycholate sodium;Sodium 3α,12α-dihydroxy-5β-cholanoyltaurate;STDC;Sodium taurodesoxycholate;Sodium deoxytaurocholate;130860-40-1;882174-23-4
Categories:
Organic Chemistry > Organometallic Compounds

Description

Taurodeoxycholate sodium salt is a bile salt-related anionic detergent used for isolation of membrane proteins including inner mitochondrial membrane proteins. Taurodeoxycholate (TDCA) inhibits various inflammatory responses[1] [2][3].

A bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. It is used as a cholagogue and choleretic, also industrially as a fat emulsifier.

Sodium taurodeoxycholate Basic Attributes

Molecular Weight：

521.69

Exact Mass：

521.278687

EC Number：

214-652-0

Characteristics

PSA：

135

Melting Point：

171-175 °C

Water Solubility：

H2O: 0.5 M at 20 °C, clear, colorless to faintly yellow

Storage Conditions：

Freezer (-20°C)

Specific rotation：

33 º (c=3, water)

Safety Information

wgk germany：

hazard class code：

safety instructions：

24/25

Marks：

GHS Classification：

|Warning|H315 (83.33%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic). (See all compounds classified as Cholagogues and Choleretics.)|Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)

MeSH Entry Terms：

Acid, Taurodeoxycholic

Sodium taurodeoxycholate Use and Manufacturing

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

Computed Properties

Molecular Weight:521.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:521.27870358
Monoisotopic Mass:521.27870358
Topological Polar Surface Area:135
Heavy Atom Count:35
Complexity:864
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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