trans-Ned 19

Base Information

• Chemical Name: trans-Ned 19
• CAS No.: 1354235-96-3
• Molecular Formula: C30H31FN4O3
• Molecular Weight: 514.6
• DSSTox Substance ID: DTXSID501102307
• Nikkaji Number: J3.253.219E
• Wikipedia: NED-19
• ChEMBL ID: CHEMBL1222013
• Mol file: 1354235-96-3.mol

Synonyms:1-(3-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylic acid;NED 19;NED-19

Chemical Property of trans-Ned 19

Chemical Property:

• Storage Temp.: Refrigerator
• Solubility.: Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 514.23801903
• Heavy Atom Count: 38
• Complexity: 810

Purity/Quality:

99.90% ^*data from raw suppliers

trans-Ned 19 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6F
• Isomeric SMILES: COC1=C(C=C(C=C1)[C@@H]2C3=C(C[C@H](N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6F
• Uses: trans-Ned-19 is a cell permeable and potent nicotinic acid adenine dinucleotide phosphate (NAADP) antagonist. trans-Ned-19 inhibits NAADP-mediated Ca2+ release (IC50 = 6 nM) and also inhibits [32P]NAADP binding (IC50 = 0.4 nM). trans-Ned-19 can be used as a chemical proble since it fluorescentey labels NAADP receptors in intact cells.