Basic information
- CAS
103898-38-0- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(c2nc(CN(C)Cc3ccccc3)no2)C1c1cccc([N+](=O)[O-])c1- InChIKey
HHVCXSOKQHQGFB-UHFFFAOYSA-N- Molecular formula
- C26H27N5O5
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 489.20121898
Overview
structure given in first source; inhibits calcium-induced heart contraction; reduces blood pressure in SHR rats; prevents the development of stroke in SHRSP rats
Names & identifiers
- Preferred name
- SM 6586
- IUPAC
- methyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
- English name
- SM 6586
- Molecular formula
- C26H27N5O5
- Molecular weight
- 489.52
Names & synonyms
SM-6586103898-38-0SM 65863-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(3-((methyl(phenylmethyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-4-(3-nitrophenyl)-, methyl esterRefChem:183383Methyl 1,4-dihydro-2,6-dimethyl-3-(3-N-benzyl-N-methylaminomethyl-1,2,4-oxadiazolyl-5-yl)-4-(3-nitrophenyl)pyridine-5-carboxylatemethyl 5-(3-((benzyl(methyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylateMethyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[3-[[methyl(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-4-(3-nitrophenyl)-, methyl ester;3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[3-[[methyl(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-4-(3-nitrophenyl)-, methyl esterorb1706622SCHEMBL7308471SCHEMBL30358017
Show more names
SM6586,SM 65863-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[3-[[methyl(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-4-(3-nitrophenyl)-, methyl ester
HHVCXSOKQHQGFB-UHFFFAOYSA-NDEA89838AKOS040742636CS-6798DA-77890HY-19062T168973-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(3-((methyl(phenylemthyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-4-(3-nitrophenyl)-, methyl ester
Database identifiers
- CAS
103898-38-0- PubChem CID
- 128443
- Nikkaji
- J463.664C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 878
Physicochemical properties
- Melting point
- 127 · 127-128 °C
- Boiling point
- 624 · 624.0±65.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 5.1 · 5.10±0.50(Predicted)
Chemistry & industry
Applications
UsesSM-6586 is a calcium channel antagonist and inhibitor of Na+/H+ and Na+/Ca2+ exchange transport, potentially for the treatment of cerebrovasular diseases and hypertension.
Suppliers10 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
2 records
Compound notes
Loading…