3-Oxo-5β-cholanoic acid
3-Oxo-5β-cholanoic acid structure
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Common Name | 3-Oxo-5β-cholanoic acid | ||
|---|---|---|---|---|
| CAS Number | 1553-56-6 | Molecular Weight | 374.55700 | |
| Density | 1.069 g/cm3 | Boiling Point | 509.3ºC | |
| Molecular Formula | C24H38O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 275.9ºC | |
Use of 3-Oxo-5β-cholanoic acid3-Oxo-5β-cholanoic acid (Dehydrolithocholic acid), a bile acid metabolite, inhibits the diferentiation of TH17 cells by directly binding to the key transcription factor RORγt (Kd=1.13 μM)[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-oxo-5β-cholanic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 3-Oxo-5β-cholanoic acid (Dehydrolithocholic acid), a bile acid metabolite, inhibits the diferentiation of TH17 cells by directly binding to the key transcription factor RORγt (Kd=1.13 μM)[1]. |
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| Related Catalog | |
| In Vitro | Treatment with 3-Oxo-5β-cholanoic acid significantly reduced the activity of the RORγt reporter. These data suggest that 3-Oxo-5β-cholanoic acid probably inhibits TH17 cell differentiation by physically interacting with RORγt, and inhibiting its transcriptional activity[1]. |
| In Vivo | 3-Oxo-5β-cholanoic acid (Dehydrolithocholic acid) (0.3% (w/w); p.o.; for 1 week) significantly reduces the percentage of ileal TH17 cells[1]. Animal Model: B6 Jax mice (with a faecal slurry containing SFB)[1] Dosage: 0.3% (w/w) Administration: Gavaged; for 1 week Result: Significantly reduced the percentage of ileal TH17 cells. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.069 g/cm3 |
|---|---|
| Boiling Point | 509.3ºC |
| Molecular Formula | C24H38O3 |
| Molecular Weight | 374.55700 |
| Flash Point | 275.9ºC |
| Exact Mass | 374.28200 |
| PSA | 54.37000 |
| LogP | 5.71530 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.52 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-Oxo-5β-cholan... CAS#:1553-56-6 |
| Literature: Nahar, Lutfun; Turner, Alan B. Journal of Chemical Research, 2004 , # 5 p. 329 - 332 |
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3-Oxo-5β-cholan... CAS#:1553-56-6 |
| Literature: Faarup, Peter Patent: US2002/183531 A1, 2002 ; |
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3-Oxo-5β-cholan... CAS#:1553-56-6
Detail
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| Literature: Yang, Jerry; Gabriele, Bartolo; Belvedere, Sandro; Huang, Ying; Breslow, Ronald The Journal of organic chemistry, 2002 , vol. 67, # 15 p. 5057 - 5067 |
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3-Oxo-5β-cholan... CAS#:1553-56-6 |
| Literature: Kagan; Jacques Bulletin de la Societe Chimique de France, 1957 , p. 699,703 |
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3-Oxo-5β-cholan... CAS#:1553-56-6 |
| Literature: Kagan; Jacques Bulletin de la Societe Chimique de France, 1957 , p. 699,703 |
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3-Oxo-5β-cholan... CAS#:1553-56-6 |
| Literature: Kagan; Jacques Bulletin de la Societe Chimique de France, 1957 , p. 699,703 |
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3-Oxo-5β-cholan... CAS#:1553-56-6 |
| Literature: Kagan; Jacques Bulletin de la Societe Chimique de France, 1957 , p. 699,703 |
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3-Oxo-5β-cholan... CAS#:1553-56-6 |
| Literature: Kagan; Jacques Bulletin de la Societe Chimique de France, 1957 , p. 699,703 |
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3-Oxo-5β-cholan... CAS#:1553-56-6 |
| Literature: Kagan; Jacques Bulletin de la Societe Chimique de France, 1957 , p. 699,703 |
![methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate structure](https://image.chemsrc.com/caspic/093/7727-82-4.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
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| DownStream 1 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antagonistic activity against human VDR in presence of 1,25(OH)2D3
Source: ChEMBL
Target: Vitamin D3 receptor
External Id: CHEMBL859065
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Name: Human Pregnane X receptor (1I. Vitamin D receptor-like receptors)
Source: IUPHAR-DB
Target: Pregnane X receptor (1I. Vitamin D receptor-like receptors) [Homo sapiens]
External Id: 606_Human
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Name: Agonist activity at vitamin D receptor (unknown origin) expressed in HEK293 cells co-...
Source: ChEMBL
Target: Vitamin D3 receptor
External Id: CHEMBL4036633
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Name: Inhibition of transactivation of human VDR in COS7 cells
Source: ChEMBL
Target: Vitamin D3 receptor
External Id: CHEMBL858933
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Name: Di-UB K63-2 Hydrolysis Assay from Article 10.1016/j.chembiol.2017.03.002: "Lithocholi...
Source: BindingDB
Target: N/A
External Id: BindingDB_7922_2
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Name: Ub-AMC-Hydrolysis Assay from Article 10.1016/j.chembiol.2017.03.002: "Lithocholic Aci...
Source: BindingDB
Target: N/A
External Id: BindingDB_7922_1
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Name: Agonist activity at human TGR5 expressed in CHO cells by luciferase assay relative to...
Source: ChEMBL
Target: G-protein coupled bile acid receptor 1
External Id: CHEMBL949257
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Name: Agonist activity at human TGR5 expressed in CHO cells by luciferase assay
Source: ChEMBL
Target: G-protein coupled bile acid receptor 1
External Id: CHEMBL949256
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-oxo-5beta-cholanic acid |
| 3-oxocholanic acid |
| DEHYDROLITHOCHOLIC ACID |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 3-oxo-5β-cholanic acid? |
| A: CAS number of 3-oxo-5β-cholanic acid is 1553-56-6. |
| Q: What is the boiling point of 3-oxo-5β-cholanic acid? |
| A: Boiling point of 3-oxo-5β-cholanic acid is 509.3ºC. |
| Q: What English synonyms does 3-oxo-5β-cholanic acid have? |
| A: English synonyms of 3-oxo-5β-cholanic acid: 3-oxo-5beta-cholanic acid, 3-oxocholanic acid, DEHYDROLITHOCHOLIC ACID. |
| Q: What is the English name of 3-oxo-5β-cholanic acid? |
| A: The English name of 3-oxo-5β-cholanic acid is 3-oxo-5β-cholanic acid. |
| Q: What is the molecular formula of 3-oxo-5β-cholanic acid? |
| A: Molecular formula of 3-oxo-5β-cholanic acid is C24H38O3. |
| Q: What is the molecular weight of 3-oxo-5β-cholanic acid? |
| A: Molecular weight of 3-oxo-5β-cholanic acid is 374.55700. |
| Q: What is the polar surface area (PSA) of 3-oxo-5β-cholanic acid? |
| A: Polar surface area (PSA) of 3-oxo-5β-cholanic acid is 54.37000. |
| Q: What are the upstream materials of 3-oxo-5β-cholanic acid? |
| A: Related upstream materials(CAS) of 3-oxo-5β-cholanic acid: 434-13-9;59648-72-5;81-25-4;81-23-2;7727-82-4;122387-72-8. |
| Q: What is the LogP of 3-oxo-5β-cholanic acid? |
| A: LogP of 3-oxo-5β-cholanic acid is 5.71530. |
| Q: What are the uses of 3-oxo-5β-cholanic acid? |
| A: Main uses of 3-oxo-5β-cholanic acid: 3-Oxo-5β-cholanoic acid (Dehydrolithocholic acid), a bile acid metabolite, inhibits the diferentiation of TH17 cells by directly binding to the key transcription factor RORγt (Kd=1.13 μM)[1]. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |