Pregn-4-ene-3,6,20-trione

Base Information

Chemical Name:Pregn-4-ene-3,6,20-trione
CAS No.:2243-08-5
Molecular Formula:C21H28O3
Molecular Weight:328.452
Hs Code.:
NSC Number:76757
UNII:2698PNJ55U
DSSTox Substance ID:DTXSID90945113
Nikkaji Number:J354.034K
Wikipedia:6-Ketoprogesterone
ChEMBL ID:CHEMBL3138672
Mol file:2243-08-5.mol

Synonyms:2243-08-5;Pregn-4-ene-3,6,20-trione;6-Ketoprogesterone;6-Oxoprogesterone;2698PNJ55U;UNII-2698PNJ55U;(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6(2H,10H)-dione;NSC 76757;NSC-76757;(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione;4-PREGNEN-3,6,20-TRIONE;6-Keto Progesterone;NSC76757;SCHEMBL37618;CHEMBL3138672;DTXSID90945113;CS-O-13073

Suppliers and Price of Pregn-4-ene-3,6,20-trione

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

TRC
6-Ketoprogesterone
250mg
$ 215.00

Crysdot
(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6(2H,10H)-dione 97%
1g
$ 240.00

Chemenu
Pregn-4-ene-3,6,20-trione 97%
5g
$ 281.00

Total 69 raw suppliers

Chemical Property of Pregn-4-ene-3,6,20-trione

Chemical Property:

Vapor Pressure:4.03E-09mmHg at 25°C
Melting Point:206-208℃ (ethanol )
Refractive Index:1.55
Boiling Point:473.2 °C at 760 mmHg
Flash Point:202.6 °C
PSA：51.21000
Density:1.14g/cm³
LogP:3.90250
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:328.20384475
Heavy Atom Count:24
Complexity:660

Purity/Quality:

99%min ^*data from raw suppliers

6-Ketoprogesterone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1CCC2C1(CCC3C2CC(=O)C4=CC(=O)CCC34C)C
Isomeric SMILES:CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@]34C)C
Uses 6-Ketoprogesterone is used in the synthesis and biological evaluation of steroidal deivatives as selective inhibitors of AKR1B10. AKR1B10 is a promising anti-cancer therapeutic target.

Technology Process of Pregn-4-ene-3,6,20-trione

There total 4 articles about Pregn-4-ene-3,6,20-trione 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: 19.3%

: 57-83-0
Progesterone

: 68-96-2
17-hydroxyprogesterone

: 2243-08-5
6-oxoprogesterone

: 135574-05-9
4α-formyl-A-nor-pregnene-3,20-dione

: 55203-20-8
pregn-4-ene-3,12,20-trione

Guidance literature:: With 2-Picolinic acid; dihydrogen peroxide; iron(III) chloride; In pyridine; acetic acid; for 18h; Further byproducts given; Ambient temperature;

Reference yield: 19.3%

: 57-83-0
Progesterone

: 63-05-8
Androstenedione

: 68-96-2
17-hydroxyprogesterone

: 2243-08-5
6-oxoprogesterone

: 100979-81-5
A-nor-5β-pregnanedione-(3.20)

: 135574-05-9
4α-formyl-A-nor-pregnene-3,20-dione

: 55203-20-8
pregn-4-ene-3,12,20-trione

Guidance literature:: With 2-Picolinic acid; dihydrogen peroxide; iron(III) chloride; In pyridine; acetic acid; for 18h; Product distribution; Mechanism; Ambient temperature;

Reference yield: 19.3%

: 57-83-0
Progesterone

: 63-05-8
Androstenedione

: 2243-08-5
6-oxoprogesterone

: 135574-05-9
4α-formyl-A-nor-pregnene-3,20-dione

: 55203-20-8
pregn-4-ene-3,12,20-trione

Guidance literature:: With 2-Picolinic acid; dihydrogen peroxide; iron(III) chloride; In pyridine; acetic acid; for 18h; Further byproducts given; Ambient temperature;