8-Bromo-pet-cyclic gmps

Base Information

• Chemical Name: 8-Bromo-pet-cyclic gmps
• CAS No.: 172806-20-1
• Molecular Formula: C18H16BrN5NaO6PS
• Molecular Weight: 564.28
• UNII: O874Z20U79
• DSSTox Substance ID: DTXSID00938213
• Nikkaji Number: J2.354.009F
• ChEMBL ID: CHEMBL1606347
• Mol file: 172806-20-1.mol

Synonyms:8-bromo-beta-phenyl-1,N(2)-ethenoguanosine 3',5'-cyclic monophosphorothioate;8-bromo-beta-phenyl-1,N(2)-ethenoguanosine 3',5'-cyclic monophosphorothioate, (R)-isomer;8-bromo-PET-cyclic GMPS;Rp-8-Br-PET-cGMP(S)

Chemical Property of 8-Bromo-pet-cyclic gmps

Chemical Property:

• Appearance/Colour: off-white powder
• Melting Point: 240-300 °C(lit.)
• PSA: 175.07000
• LogP: 2.78270
• Storage Temp.: −20°C
• Solubility.: H2O: 15 mg/mL at ≤60 °C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 538.96640
• Heavy Atom Count: 32
• Complexity: 934

Purity/Quality:

99% ^*data from raw suppliers

Rp-8-Br-PET-cGMPS ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(C(C(O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3Br)O)OP(=S)(O1)O
• Isomeric SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3Br)O)OP(=S)(O1)O
• Uses: Rp-8-Br-PET-cyclic GMPS Sodium Salt is a competitive inhibitor of cGMP-dependent protein kinase (cGKI).