dimethyl (1R,5R,6R,7S)-8-benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylate

Base Information

• Chemical Name: dimethyl (1R,5R,6R,7S)-8-benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylate
• CAS No.: 960201-81-4
• Molecular Formula: C18H19NO5
• Molecular Weight: 329.3
• DSSTox Substance ID: DTXSID101113978
• Mol file: 960201-81-4.mol

Synonyms:8-benzyl-4-oxo-8-azabicyclo(3.2.1)oct-2-ene-6,7-dicarboxylic acid;SD 1008;SD-1008;SD1008

Chemical Property of dimethyl (1R,5R,6R,7S)-8-benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylate

Chemical Property:

• Storage Temp.: Store at RT
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 329.12632271
• Heavy Atom Count: 24
• Complexity: 552

Purity/Quality:

≥99% by HPLC ^*data from raw suppliers

SD1008 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1C2C=CC(=O)C(C1C(=O)OC)N2CC3=CC=CC=C3
• Isomeric SMILES: COC(=O)[C@@H]1[C@H]2C=CC(=O)[C@@H]([C@@H]1C(=O)OC)N2CC3=CC=CC=C3
• Uses: SD 1008 is a novel JAK2 inhibitor, which increases chemotherapy sensitivity in human ovarian cancer cells.