1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone

Base Information

Chemical Name:1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone
CAS No.:14760-51-1
Molecular Formula:C₂₈H₃₃FN₂O₄
Molecular Weight:480.579
Hs Code.:
ChEMBL ID:CHEMBL2022858
DSSTox Substance ID:DTXSID101124622
Nikkaji Number:J1.879.785B

1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone

Synonyms:CHEMBL2022858;SCHEMBL2077617;PGCWTDKPSMHVRB-LQHZEQFVSA-N;DTXSID101124622;BDBM50381724;14760-51-1;(11beta)-2'-(4-Fluorophenyl)-11,17-21-trihydroxy-2'H-pregna-2,4-dieno[3,2-c]pyrazol-20-one;1-[(1R,3aS,3bS,10aR,10bS,11S,12aS)-7-(4-fluorophenyl)-1,11-dihydroxy-10a,12a-dimethyl-1,2,3,3a,3b,4,5,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone

Suppliers and Price of 1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone

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Chemical Property of 1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:480.24243570
Heavy Atom Count:35
Complexity:905

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC5=C(CC34C)C=NN5C6=CC=C(C=C6)F)O
Isomeric SMILES:C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC5=C(C[C@]34C)C=NN5C6=CC=C(C=C6)F)O

Technology Process of 1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone

There total 9 articles about 1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone 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: 80.0%

: 69607-31-4
2'-(4-fluorophenyl)-11β-hydroxy-17,20:20,21-bis(methylenedioxy)pregn-4-eno[3,2-c]pyrazole

: 14760-51-1
2'(4-fluorophenyl)-11β,17α,21-trihydroxy-20-oxo-pregn-4-eno[3,2-c]pyrazole

Guidance literature:: 2'-(4-fluorophenyl)-11β-hydroxy-17,20:20,21-bis(methylenedioxy)pregn-4-eno[3,2-c]pyrazole; With formic acid; for 0.75h; Heating;

With sodium hydroxide; In methanol; at 20 ℃; for 1h;
DOI:10.1016/S0039-128X(02)00171-X