GDC-0879

Base Information

• Chemical Name: GDC-0879
• CAS No.: 905281-76-7
• Molecular Formula: C₁₉H₁₈N₄O₂
• Molecular Weight: 334.378
• Hs Code.: 2933399990
• UNII: E488J6BA6E
• ChEMBL ID: CHEMBL525191
• DSSTox Substance ID: DTXSID00471110
• Pharos Ligand ID: QVGN4SWHD4TW
• Mol file: 905281-76-7.mol

Synonyms:GDC-0879

Chemical Property of GDC-0879

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.705
• Boiling Point: 562.573 °C at 760 mmHg
• Flash Point: 294.034 °C
• PSA: 83.53000
• Density: 1.371g/cm³
• LogP: 2.65130
• Solubility.: insoluble in EtOH; insoluble in H2O; ≥16.7 mg/mL in DMSO
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 334.14297583
• Heavy Atom Count: 25
• Complexity: 480

Purity/Quality:

97% ^*data from raw suppliers

GDC-0879 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=NO)C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO
• Isomeric SMILES: C1C/C(=N\O)/C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO
• Uses: GDC 0879 is a potent B-Raf inhibitor.

Technology Process of GDC-0879

There total 2 articles about GDC-0879 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: 78.0%

5-(1-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one (905282-23-7) → GDC-0879 (905281-76-7)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; Heating;

DOI:10.1016/j.bmcl.2008.07.002

Reference yield: 53.0%

(E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one O-benzyl oxime → GDC-0879 (905281-76-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium hydroxide on carbon; In methanol; water; at 20 ℃; for 1h;

upstream raw materials:

5-(1-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one