BMN 673

Base Information

• Chemical Name: BMN 673
• CAS No.: 1207456-01-6
• Molecular Formula: C19H14F2N6O
• Molecular Weight: 380.357
• Mol file: 1207456-01-6.mol

Synonyms:5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-Pyrido[4,3,2-de]phthalazin-3-one; BMN-673; BMN673; Talazoparib

Chemical Property of BMN 673

Chemical Property:

• PKA: 10.14±0.60(Predicted)
• PSA: 88.75000
• Density: 1.63
• LogP: 3.17880
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

(8S,9R)-BMN673 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: Talazoparib (BMN 673) is a novel PARP inhibitor with IC50 of 0.58 nM in a cell-free assay. It is also a potent inhibitor of PARP-2, but does not inhibit PARG and is highly sensitive to PTEN mutation. Phase 3.

Technology Process of BMN 673

There total 25 articles about BMN 673 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: 90.2%

(2R,3R)-methyl 7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate (1373329-52-2) → ((11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one) (1207456-01-6)

Guidance literature:

With hydrazine hydrate; for 3h; Time; Reflux;

Reference yield: 90.0%

5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one (1207454-56-5) → ((11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one) (1207456-01-6) + (8R,9S)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3 ,2-de] phthalazin-3(7H)-one (1207456-00-5)

Guidance literature:

With CHIRALPAK IA; In methanol; diethylamine; Resolution of racemate;

Reference yield:

AEQNPIYWARYADWLFTTPLLLLDLALLVDADEC{{2-[({[(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraen-10-yl]methyl}carbamoyl)oxy]ethyl}sulfanyl}G → ((11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one) (1207456-01-6)

Guidance literature:

With GLUTATHIONE; In aq. buffer; at 37 ℃;

upstream raw materials:

5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one

6-fluoro-4-nitroisobenzofuran-1(3H)-one

(Z)-6-fluoro-3-((1-methyl-1H-1,2,4-triazol-5-yl)methylene)-4-nitroisobenzofuran-1(3H)-one

methyl 7-fluoro-2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate

Downstream raw materials:

(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one tosylate

CH₄O₃S*C₁₉H₁₄F₂N₆O

C₂H₆O₄S*C₁₉H₁₄F₂N₆O

C₁₉H₁₄F₂N₆O*H₃O₄P

Refernces

• 1、 -. "Synthesis of PARP inhibitor talazoparib". Page/Page column 13; 18; 19. . Retrieved 2017/08/07.
• 2、 -. "CRYSTALLINE (8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-8,9-DIHYDRO-2H-PYRIDO[4,3,2-DE]PHTHALAZIN-3(7H)-ONE TOSYLATE SALT". . . Retrieved 2012/05/05.