DNA-PK Inhibitor V

Base Information

• Chemical Name: DNA-PK Inhibitor V
• CAS No.: 404009-46-7
• Molecular Formula: C17H17NO3
• Molecular Weight: 283.32200
• ChEMBL ID: CHEMBL478980
• DSSTox Substance ID: DTXSID90587895
• Pharos Ligand ID: HWK5Z78DF5WN
• Wikidata: Q27077090
• Mol file: 404009-46-7.mol

Synonyms:DNA-PK Inhibitor V;404009-46-7;AMA-37;AMA37;1-(2-Hydroxy-4-morpholin-4-yl-phenyl)-phenyl-methanone;AM-A37;AMA 37;CHEMBL478980;(2-Hydroxy-4-morpholin-4-yl-phenyl)-phenyl-methanone;2-benzoyl-5-(morpholin-4-yl)phenol;(2-hydroxy-4-morpholin-4-ylphenyl)-phenylmethanone;GTPL5961;SCHEMBL3210718;CHEBI:92885;DTXSID90587895;FALILNHGILFDLC-UHFFFAOYSA-N;HMS3229O17;BDBM50270042;AKOS040746555;CCG-206746;SMP2_000080;MS-24024;HY-100706;CS-0020027;G13538;(2-hydroxy-4-morpholinophenyl)(phenyl)methanone;BRD-K51018020-001-01-9;Q27077090;[2-Hydroxy-4-(morpholin-4-yl)phenyl](phenyl)methanone;1-(2-Hydroxy-4-morpholin-4-yl-phenyl)-1-phenyl-methanone

Chemical Property of DNA-PK Inhibitor V

Chemical Property:

• PSA: 49.77000
• LogP: 2.52480
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 283.12084340
• Heavy Atom Count: 21
• Complexity: 348

Purity/Quality:

97% ^*data from raw suppliers

DNA-PK Inhibitor V - CAS 404009-46-7 - Calbiochem ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)O

Technology Process of DNA-PK Inhibitor V

There total 8 articles about DNA-PK Inhibitor V 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: 74.0%

(2-methoxy-4-morpholinophenyl)(phenyl)methanone → AMA37 (404009-46-7)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c8cc08444k

Reference yield: 70.0%

bromobenzene (108-86-1,52753-63-6) + 2-hydroxy-4-morpholin-4-yl-N-methoxy-N-methyl-benzamide + citric acid (77-92-9,906507-37-7) → AMA37 (404009-46-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran;

Reference yield: 14.1%

phenylmagnesium bromide + 2-hydroxy-4-morpholin-4-yl-benzaldehyde (70362-07-1) → AMA37 (404009-46-7)

Guidance literature:

phenylmagnesium bromide; 2-hydroxy-4-morpholin-4-yl-benzaldehyde; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃;

With manganese(IV) oxide; In acetonitrile; at 20 ℃; for 72h;

DOI:10.1016/j.bmc.2004.06.022

upstream raw materials:

2-hydroxy-4-morpholin-4-yl-benzaldehyde

3-(4-morpholino)phenol

bromobenzene

citric acid