12-Ketolithocholic acid

Base Information

Chemical Name:12-Ketolithocholic acid
CAS No.:5130-29-0
Molecular Formula:C24H38O4
Molecular Weight:390.563
Hs Code.:
UNII:57668172Z5
DSSTox Substance ID:DTXSID80199300
Nikkaji Number:J324.810K
Wikidata:Q27261472
Metabolomics Workbench ID:36396
ChEMBL ID:CHEMBL1254076
Mol file:5130-29-0.mol

Synonyms:12-ketolithocholic acid;12-ketolithocholic acid, (3beta,5beta)-isomer;3 alpha-hydroxy-12-keto-5 beta-cholanoic acid;3-hydroxy-12-ketocholanoic acid

Suppliers and Price of 12-Ketolithocholic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

ChemScene
12-Ketodeoxycholicacid ≥97.0%
1g
$ 900.00

ChemScene
12-Ketodeoxycholicacid ≥97.0%
250mg
$ 385.00

ChemScene
12-Ketodeoxycholicacid ≥97.0%
100mg
$ 228.00

Cayman Chemical
12-keto Lithocholic Acid
50mg
$ 422.00

Cayman Chemical
12-keto Lithocholic Acid
10mg
$ 127.00

Cayman Chemical
12-keto Lithocholic Acid
5mg
$ 71.00

Cayman Chemical
12-keto Lithocholic Acid
25mg
$ 281.00

AK Scientific
12-Ketolithocholicacid
10mg
$ 257.00

AK Scientific
12-Ketolithocholicacid
50mg
$ 626.00

AccelPharmtech
3-alpha-Hydroxy-12-Oxo-5-beta-CholanoicAcid 97.00%
2G
$ 1350.00

Total 8 raw suppliers

Chemical Property of 12-Ketolithocholic acid

Chemical Property:

Vapor Pressure:3.42E-14mmHg at 25°C
Melting Point:165-167 °C
Refractive Index:1.535
Boiling Point:545.9°C at 760 mmHg
PKA:4.74±0.10(Predicted)
Flash Point:298°C
PSA：74.60000
Density:1.124g/cm³
LogP:4.68610
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:390.27700969
Heavy Atom Count:28
Complexity:645

Purity/Quality:

95% ^*data from raw suppliers

12-Ketodeoxycholicacid ≥97.0% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)O)C)C
Isomeric SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
Description 12-keto Lithocholic acid is a metabolite of the secondary bile acid deoxycholic acid (DCA; Item Nos. 20756 | 18231). Fecal levels of 12-keto lithocholic acid are elevated in rats fed a diet supplemented with cholic acid or DCA compared with rats fed a control diet or a diet supplemented with cholesterol , hyodeoxycholic acid (HDCA; ), or lithocholic acid (LCA; ). 12-keto Lithocholic acid activates the human pregnane X receptor (PXR; EC50 = 31.3 μM in a cell-based transactivation assay). 12-keto Lithocholic acid levels are increased in duodenal bile from patients with type 2 diabetes.

Technology Process of 12-Ketolithocholic acid

There total 22 articles about 12-Ketolithocholic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

: 83918-75-6
methyl 3α-cathyloxy-12-oxo-5β-cholan-24-oate

: 5130-29-0,83830-81-3
12-oxolithocholic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; for 10h; Heating;
DOI:10.1002/(SICI)1099-0690(199804)1998:4<719::AID-EJOC719>3.0.CO;2-F

Reference yield: 90.0%

: 83-44-3
Deoxycholic acid

: 5130-29-0,83830-81-3
12-oxolithocholic acid

Guidance literature:: With Oxalacetic acid; L-malate dehydrogenase from pig heart; nicotinamide adenine dinucleotide-dependent HSDH from Eggerthella lenta; NAD; In methanol; aq. phosphate buffer; at 25 ℃; for 4h; pH=8; Reagent/catalyst; Catalytic behavior; Kinetics; Enzymatic reaction;
DOI:10.1002/adsc.201900144

Reference yield: 82.0%

: 1024498-31-4
C₃₀H₅₀O₅

: 5130-29-0,83830-81-3
12-oxolithocholic acid

Guidance literature:: C₃₀H₅₀O₅; With jones' reagent; In acetone; at 20 ℃; for 0.166667h;

With sodium hydroxide; In 1,4-dioxane; for 6h; Further stages.; Heating;
DOI:10.1016/j.steroids.2007.06.005