Prednienic acid

Base Information Edit

Chemical Name:Prednienic acid
CAS No.:37927-29-0
Molecular Formula:C20H26 O5
Molecular Weight:346.423
Hs Code.:
European Community (EC) Number:253-719-9
UNII:I3T12NR296
DSSTox Substance ID:DTXSID50191356
Nikkaji Number:J261.272K
Wikidata:Q72466853
ChEMBL ID:CHEMBL1201389
Mol file:37927-29-0.mol

Synonyms:Prednienic acid;37927-29-0;Pj 90;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid;(11beta,17alpha)-11,17-Dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid;UNII-I3T12NR296;I3T12NR296;EINECS 253-719-9;95671-46-8;SCHEMBL1685771;.DELTA.1-CORTIENIC ACID;CHEMBL1201389;DTXSID50191356;PJ-90;11,17-Dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid;MFCD22683758;EN300-20206581;11|A,17-Dihydroxy-3-oxoandrosta-1,4-diene-17|A-carboxylic Acid;11.BETA.,17-DIHYDROXY-3-OXOANDROSTA-1,4-DIENE-17.BETA.-CARBOXYLIC ACID;(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carboxylic acid;ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 11,17-DIHYDROXY-3-OXO-, (11.BETA.,17.ALPHA.)-

Suppliers and Price of Prednienic acid

Supply Marketing:Edit

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

TRC
PrednienicAcid
500mg
$ 185.00

TRC
PrednienicAcid
5g
$ 1455.00

Medical Isotopes, Inc.
PrednienicAcid
500 mg
$ 650.00

Total 31 raw suppliers

Chemical Property of Prednienic acid Edit

Chemical Property:

Vapor Pressure:2.11E-15mmHg at 25°C
Boiling Point:570.7°Cat760mmHg
PKA:3.78±0.70(Predicted)
Flash Point:313°C
PSA：94.83000
Density:1.33g/cm³
LogP:2.08080
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:346.17802393
Heavy Atom Count:25
Complexity:709

Purity/Quality:

99%min ^*data from raw suppliers

PrednienicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CC(C3C(C1CCC2(C(=O)O)O)CCC4=CC(=O)C=CC34C)O
Isomeric SMILES:C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)O)O)CCC4=CC(=O)C=C[C@]34C)O
Uses Prednienic Acid is a glucocorticoid steroid. It is used to synthesize various anti-inflammatory compounds such as macrolactonolides by conjugating Prednienic Acid with macrolides.

Technology Process of Prednienic acid

There total 10 articles about Prednienic 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: 100.0%

: 50-24-8,8056-11-9
prednisolon

: 37927-29-0
(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0 0²^,⁷. 0^11,15]heptadeca-3,6-diene-14-carboxylic acid

Guidance literature:: With periodic acid; In tetrahydrofuran; methanol; at 20 ℃; for 2h;
DOI:10.1023/A:1018907026460

Reference yield: 99.3%

: 1,4-androstadien-11β-hydroxy-3-one-17α-hydroxynitrile

: 37927-29-0
(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0 0²^,⁷. 0^11,15]heptadeca-3,6-diene-14-carboxylic acid

Guidance literature:: With hydrogenchloride; In dichloromethane; water; at 15 - 25 ℃; for 2h; Reagent/catalyst; Solvent;

Reference yield: 98.0%

: C₂₀H₂₅BrO₅

: 37927-29-0
(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0 0²^,⁷. 0^11,15]heptadeca-3,6-diene-14-carboxylic acid

Guidance literature:: With hydrogenchloride; chromium chloride; mercaptoacetic acid; zinc; In ethanol; water; at 10 - 30 ℃; for 0.5h; Temperature; Inert atmosphere;