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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > 3-Oxo-5beta-cholanoic Acid
3-Oxo-5beta-cholanoic Acid structure, CAS 1553-56-6

3-Oxo-5beta-cholanoic Acid

CAS Number1553-56-6

Synonyms3-oxo-5beta-cholanic acid; 3-oxocholanic acid; DEHYDROLITHOCHOLIC ACID

Molecular FormulaC24H38O3

Molecular Weight374.56

Purity>99 (TLC)%

Density1.069 g/cm3

Boiling Point509.3ºC

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-1197911 Purity: >99 (TLC)%
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Quality Control of [ 1553-56-6 ] Purity: >99 (TLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1553-56-6
Catalog No.2A-1197911
Chinese Name3-Oxo-5β-cholanoic acid
Synonyms3-oxo-5beta-cholanic acid; 3-oxocholanic acid; DEHYDROLITHOCHOLIC ACID
Molecular FormulaC24H38O3
Molecular Weight374.56
Purity>99 (TLC)
Density1.069 g/cm3
Boiling Point509.3ºC
Appearancepowder
Storage Conditionroom temperature
Application3-Oxo-5β-cholanoic acid (Dehydrolithocholic acid), a bile acid metabolite, inhibits TH17 cell differentiation by directly binding to the key transcription factor RORγt (Kd=1.13 μM).
MDL NumberMFCD00046265
SMILES[H][C@@]12[C@]([C@](CCC(C3)=O)(C)[C@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O
InChIInChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1
InChI KeyKIQFUORWRVZTHT-OPTMKGCMSA-N
NACRES CodeNA.25
UNSPSC12352211
Hazard Symbolstransportation
MSDSmsds/199774_1_1553_56_6.pdf
Bioactivity3-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]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> ROR Research Areas >> Inflammation/Immunology 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 [1]. Hang S, et al. Bile acid metabolites control TH17 and Treg cell differentiation. Nature. 2019 Dec;576(7785):143-148. Chemical & Physical Properties 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
Use ofProperties Name 3-oxo-5β-cholanic acid Synonym More Synonyms 3-Oxo-5β-cholanoic acid Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> ROR Research Areas >> Inflammation/Immunology References [1]. Hang S, et al. Bile acid metabolites control TH17 and Treg cell differentiation. Nature. 2019 Dec;576(7785):143-148. Chemical & Physical Properties Molecular Formula C24H38O3 Exact Mass 374.28200 PSA 54.37000 LogP 5.71530 Index of Refraction 1.52
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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