Basic information
- CAS
409303-59-9- Standard SMILES
CC(CNC(=O)c1cccnc1)NC(=O)c1cccnc1- InChIKey
KTXBOOWDLPUROC-UHFFFAOYSA-N- Molecular formula
- C15H16N4O2
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.12732577
Overview
an antivasospastic substance
Names & identifiers
- Preferred name
- Nicaraven
- IUPAC
- N-[2-(pyridine-3-carbonylamino)propyl]pyridine-3-carboxamide
- English name
- Nicaraven
- Molecular formula
- C15H16N4O2
- Molecular weight
- 284.31
Names & synonyms
Nicaraven79455-30-4Antevas1,2-Bis(nicotinamido)propaneNicaravenumDTXSID6046189UD8PEV6JBDDTXCID40261893-Pyridinecarboxamide, N,N'-(1-methyl-1,2-ethanediyl)bis-N-{1-[(pyridin-3-yl)formamido]propan-2-yl}pyridine-3-carboxamideN-(1-((pyridin-3-yl)formamido)propan-2-yl)pyridine-3-carboxamideN,N'-propylenebis(nicotinamide)
Show more names
Nicaraven, >98%Nicaraven, 79455-30-4Nicaraven, 10 mM in DMSOn,n'-propylenedinicotinamideN,N'-Propylenebisnicotinamide
RefChem:853814N,N'-(Propane-1,2-diyl)dinicotinamideNicaraven [INN]MFCD00411904N-[2-(pyridine-3-carbonylamino)propyl]pyridine-3-carboxamideN,N'-PropylenenicotinamideAVS457KF8A3QQ
Database identifiers
- CAS
409303-59-9、79455-30-4- PubChem CID
- 71234
- DTXSID
DTXSID6046189
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 156 · 156-157°
- Boiling point
- 635.9 · 635.9±40.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 10 mg/ml; Ethanol: 2 mg/ml; PBS (pH 7.2): 2 mg/ml
- form
- A crystalline solid
- pka
- 12.93 · 12.93±0.46(Predicted)
- color
- White to off-white
- FDA UNII
- 8 PEV6JBD · UD8PEV6JBD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Mechanism of Action
Nicaraven is presently being developed for the treatment of cerebral stroke including subarachnoid hemorrhage. This drug is promising because some data suggest it to have an ability to scavenge the hydroxyl radical under physiological conditions in vivo, while it also has a high permeability through the blood brain barrier.
MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Applications
DescriptionNicaraven is an antioxidant that exhibits hydroxyl radical scavenging activity in vitro. Nicaraven (1-3 mg/kg per min, i.v.) reduces occurrence of chronic cerebral vasospasms in a dose-dependent manner in a canine model of subarachnoid hemorrhage. In a canine model of warm hepatic ischemia and reperfusion injury, nicaraven (2 mg/kg per min, i.v.) reduces liver enzyme release and inhibits lipid peroxidation and neutrophil infiltration in the liver. Nicaraven (100 mg/kg per day, i.p.) also decreases plasma levels of the inflammatory cytokines Il-6 and Tnf-α and the urinary levels of 8-oxo-2''-deoxyguanosine, a marker of DNA oxidation, in a mouse model of radiation-induced injury.
UsesNicaraven is a novel chemically synthesized hydroxyl radical-specific scavenger.
Suppliers77 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Related reactions
2 records
Compound notes
Loading…