Cas no 2958-04-5 (Taurohyodeoxycholic Acid Sodium Salt)
Taurohyodeoxycholic Acid Sodium Salt Chemical and Physical Properties
Names and Identifiers
-
- Ethanesulfonic acid,2-[[(3a,5b,6a)-3,6-dihydroxy-24-oxocholan-24-yl]amino]-
- TAUROHYODEOXYCHOLIC ACID
- tatsinine perchlorate
- Taurohyodesoxycholsaeure
- Taurine Hyodeoxycholate
- D6V086EMME
- 5-Beta-cholanic acid-3-alpha, 6-alpha-diol N-(2-sulphoethyl)-amide
- THDCA
- 8030AH
- BDBM50375591
- ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,6.ALPHA.)-3,6-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-
- CS-0083750
- 3,6-Dihydroxy-N-(2-sulfoethyl)cholan-24-imidic acid
- DTXSID10952061
- AC-34551
- '2-((4R)-4-((3R,5R,6S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid'
- AKOS040756031
- TAURINE, N-(3.ALPHA.,6.ALPHA.-DIHYDROXY-5.BETA.-CHOLAN-24-OYL)-
- HY-114360
- CHEBI:139138
- CCRIS 6480
- Ethanesulfonic acid, 2-(((3alpha,5beta,6alpha)-3,6-dihydroxy-24-oxocholan-24-yl)amino)-
- CHEMBL270516
- 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]pentanoyl]amino]ethanesulfonic acid
- N-(3alpha,6alpha-dihydroxy-5beta-cholan-24-oyl)-taurine
- 2-(((3alpha,5beta,6alpha)-3,6-Dihydroxy-24-cholan-24-yl)amino)ethanesulfonic acid
- 2-[[(4R)-4-[(3R, 5R, 6S, 8S, 9S, 10R, 13R, 14S, 17R)-3, 6-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]pentanoyl]amino]ethanesulfonic acid
- Q27276185
- UNII-D6V086EMME
- MS-29281
- TAUROHYODEOXYCHOLIC ACID SODIUM SALT
- 2958-04-5
- SCHEMBL26843142
- G12861
- Taurohyodeoxycholic Acid Sodium Salt
-
- Inchi: 1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-/m1/s1
- InChI Key: HMXPOCDLAFAFNT-BHYUGXBJSA-N
- SMILES: S(CCNC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@@]21C)O)O)=O)(=O)(=O)O
Computed Properties
- Exact Mass: 499.29700
- Monoisotopic Mass: 499.29675933 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 7
- Complexity: 858
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 132
- Molecular Weight: 499.7
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Melting Point: >165°C (dec.)
- Boiling Point: Not available
- Flash Point: Not available
- Refractive Index: 1.552
- Solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- PSA: 132.31000
- LogP: 4.86900
- Vapor Pressure: Not available
Taurohyodeoxycholic Acid Sodium Salt Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:Refrigerator
Taurohyodeoxycholic Acid Sodium Salt Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T007900-10mg |
Taurohyodeoxycholic Acid Sodium Salt |
2958-04-5 | 10mg |
$ 92.00 | 2023-09-06 | ||
| TRC | T007900-25mg |
Taurohyodeoxycholic Acid Sodium Salt |
2958-04-5 | 25mg |
$ 190.00 | 2023-09-06 | ||
| TRC | T007900-50mg |
Taurohyodeoxycholic Acid Sodium Salt |
2958-04-5 | 50mg |
$ 328.00 | 2023-09-06 | ||
| TRC | T007900-100mg |
Taurohyodeoxycholic Acid Sodium Salt |
2958-04-5 | 100mg |
$586.00 | 2023-05-17 | ||
| TRC | T007900-250mg |
Taurohyodeoxycholic Acid Sodium Salt |
2958-04-5 | 250mg |
$1303.00 | 2023-05-17 | ||
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67366-1mg |
Taurohyodeoxycholic Acid |
2958-04-5 | 98% | 1mg |
¥377.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67366-5mg |
Taurohyodeoxycholic Acid |
2958-04-5 | 98% | 5mg |
¥1594.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67366-10mg |
Taurohyodeoxycholic Acid |
2958-04-5 | 98% | 10mg |
¥2721.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67366-25mg |
Taurohyodeoxycholic Acid |
2958-04-5 | 98% | 25mg |
¥5960.00 | 2022-04-26 | |
| HE FEI BO MEI SHENG WU KE JI YOU XIAN ZE REN GONG SI | BZP3061-20mg |
Taurohyodeoxycholic Acid Sodium Salt |
2958-04-5 | ≥98% | 20mg |
¥920元 | 2023-09-15 |
Taurohyodeoxycholic Acid Sodium Salt Suppliers
Taurohyodeoxycholic Acid Sodium Salt Related Literature
-
Qi Zhao,Rui Yang,Fang Liu,Jing Wang,Dan-Dan Hu,Xiu-Wei Yang,Fei Li RSC Adv. 2017 7 49849
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Xiaobin Wen,Fan Wan,You Wu,Lei Liu,Yueping Liu,Ruqing Zhong,Liang Chen,Hongfu Zhang Food Funct. 2023 14 7705
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Yuan Cui,Yan Yin,Shilan Li,Zhengli Wu,Yisha Xie,Qingfan Qian,Hao Yang,Xinli Li Food Funct. 2022 13 2805
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Yanan Yang,Chongming Wu Food Funct. 2022 13 7409
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Changwei Yang,Shiying Huang,Zaigang Lin,Hui Chen,Caihong Xu,Yiqi Lin,Huiyu Sun,Fang Huang,Dai Lin,Fuchuan Guo Food Funct. 2022 13 12194
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Taurinated bile acids and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Taurinated bile acids and derivatives
Additional information on Taurohyodeoxycholic Acid Sodium Salt
Taurohyodeoxycholic Acid Sodium Salt: A Comprehensive Overview
Taurohyodeoxycholic acid sodium salt, with the CAS number 2958-04-5, is a bile acid derivative that has garnered significant attention in the fields of pharmacology and medical research. This compound is a sodium salt of taurohyodeoxycholic acid, which is a naturally occurring bile acid found in the human body. The compound is widely studied for its potential therapeutic applications, particularly in the treatment of liver diseases, metabolic disorders, and certain types of cancer.
Taurohyodeoxycholic acid sodium salt has been extensively researched for its role in modulating bile acid metabolism. Recent studies have highlighted its ability to regulate cholesterol homeostasis and improve liver function. The compound is known to activate the farnesoid X receptor (FXR), a nuclear receptor that plays a critical role in bile acid synthesis and lipid metabolism. This property makes it a promising candidate for the development of drugs targeting metabolic syndrome and non-alcoholic fatty liver disease (NAFLD).
The chemical structure of taurohyodeoxycholic acid sodium salt consists of a cholestane skeleton with hydroxyl and sulfonic acid groups. The sulfonation process enhances its solubility and bioavailability, making it suitable for systemic administration. Researchers have also explored its anti-inflammatory and antioxidant properties, which are attributed to its ability to reduce reactive oxygen species (ROS) and inhibit pro-inflammatory cytokines such as tumor necrosis factor-alpha (TNF-α) and interleukin-6 (IL-6).
One of the most exciting developments in recent years is the investigation of taurohyodeoxycholic acid sodium salt as a potential anticancer agent. Preclinical studies have demonstrated its ability to induce apoptosis in various cancer cell lines, including those derived from hepatocellular carcinoma, breast cancer, and colorectal cancer. The compound's mechanism of action involves the modulation of key signaling pathways such as the PI3K/AKT/mTOR pathway, which is often dysregulated in cancer cells.
In addition to its therapeutic potential, taurohyodeoxycholic acid sodium salt has been studied for its role in gut microbiota modulation. Emerging evidence suggests that bile acids play a crucial role in maintaining gut health by influencing the composition and activity of the microbiome. The compound's ability to regulate gut microbiota could have implications for the treatment of inflammatory bowel disease (IBD) and other gastrointestinal disorders.
The synthesis and characterization of taurohyodeoxycholic acid sodium salt have also been optimized in recent years. Researchers have developed efficient methods for large-scale production, ensuring that the compound is available for preclinical and clinical studies. Advanced analytical techniques such as high-performance liquid chromatography (HPLC) and mass spectrometry have been employed to ensure the purity and stability of the compound.
Despite its promising properties, further research is needed to fully understand the safety profile and efficacy of taurohyodeoxycholic acid sodium salt in humans. Ongoing clinical trials are evaluating its tolerability and pharmacokinetics in healthy volunteers and patients with liver diseases. These studies are expected to provide critical insights into its potential as a therapeutic agent.
In conclusion, taurohyodeoxycholic acid sodium salt represents a novel class of bile acid derivatives with diverse therapeutic applications. Its ability to modulate bile acid metabolism, regulate inflammation, and influence cancer cell signaling makes it a compelling candidate for drug development. As research continues to uncover its mechanisms of action and clinical potential, this compound holds great promise for advancing medical treatments in various disease areas.
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