Rucaparib phosphate

Base Information

• Chemical Name: Rucaparib phosphate
• CAS No.: 459868-92-9
• Molecular Formula: C19H18FN3O.H3O4P
• Molecular Weight: 421.36
• European Community (EC) Number: 813-337-0
• UNII: H3M9955244
• Wikidata: Q27279598
• NCI Thesaurus Code: C78186
• ChEMBL ID: CHEMBL2105733
• Mol file: 459868-92-9.mol

Synonyms:AG 014699;AG-014699;AG014699;PF-01367338;Rubraca;rucaparib

Chemical Property of Rucaparib phosphate

Chemical Property:

• Vapor Pressure: 1.5E-15mmHg at 25°C
• Boiling Point: 625.2 °C at 760 mmHg
• Flash Point: 331.9 °C
• PSA: 144.49000
• LogP: 2.77040
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in DMSO (up to 25 mg/ml).
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 421.12028594
• Heavy Atom Count: 29
• Complexity: 515

Purity/Quality:

99% ^*data from raw suppliers

AG14699 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O
• Recent ClinicalTrials: A Study Of Poly (ADP-Ribose) Polymerase Inhibitor PF-01367338 In Combination With Several Chemotherapeutic Regimens
• Recent EU Clinical Trials: Window study of the PARP inhibitor rucaparib in patients with primary triple negative or BRCA1/2 related breast cancer (RIO)
• Description: Rucaparib phosphate (459868-92-9) is a potent (Ki<5 nM) PARP1 inhibitor.1?Cytotoxic to human cancer cells or xenograft tumors with mutated or epigenetically silenced BRCA1/2.2?Demonstrates antiproliferative effects in 26 out of 39 ovarian cancer cell lines.3?Synergizes with other anticancer agents such as topotecan, carboplatin, doxorubicin, paclitaxel,3 and temozolomide.4?Ameliorates the cardiotoxicity of doxorubicin.5?Recently approved for human use by the FDA.
• Uses: PARP inhibitor oncolytic

Technology Process of Rucaparib phosphate

There total 1 articles about Rucaparib phosphate 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: 58.0%

→ 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one phosphate (459868-92-9)

Guidance literature:

Reference yield: 62.0%

O-(7-azido-1-methylsulfonyl-2-heptyl)-O’-succinimidyl carbonate (1346434-52-3) + 8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (459868-92-9) → C28H33FN6O5S

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; acetonitrile; at 20 ℃; for 0.5h; Sealed tube;

Reference yield:

8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (459868-92-9) → Rucaparib (283173-50-2)

Guidance literature:

With sodium hydroxide; In water; acetone; at 30 ℃; for 1.5h;

Downstream raw materials:

Rucaparib

Refernces