Basic information
- CAS
153587-01-0- Standard SMILES
O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(C(F)(F)F)ccc1O- InChIKey
YLFMCMWKHSDUCT-UHFFFAOYSA-N- Molecular formula
- C15H8F6N2O2
- Average molar mass
- 362.23 g/mol
- Monoisotopic mass
- 362.04899647
Overview
NS 1619 is a member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca). It has a role as a potassium channel opener. It is a member of benzimidazoles, a member of phenols and a member of (trifluoromethyl)benzenes.
Names & identifiers
- Preferred name
- 1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2H-benzimidazol-2-one
- IUPAC
- 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
- English name
- NS 1619
- Molecular formula
- C15H8F6N2O2
- Molecular weight
- 362.23
Names & synonyms
153587-01-0NS 16191,3-Dihydro-1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-benzimidazol-2-one3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-oneDTXSID80165363CHEBI:348792H-Benzimidazol-2-one, 1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2H-Benzimidazol-2-one3-(2-hydroxy-5-(trifluoromethyl)phenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-oneRefChem:166914DTXCID6087854NS-1619
Show more names
NS 161NS-1619, 10 mM in DMSONS 1619, KCa1.1 channel activatorNS 1619 (1,3-DIHYDRO-1-(2-HYDROXY-5-(TRI FLUOROMETHYL)PHEN1-(2-hydroxy-5-(trifluoroMethyl)phenyl)-5-(trifluoroMethyl)-1H-b1-(2-Hydroxy-5-(Trifluoromethyl)Phenyl)-5-(Trifluoromethyl)-1H-Benzo[D]Imidazol-2-Ol
1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-oneNS1619C15H8F6N2O2CHEMBL3849031-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1,3-dihydro-2H-benzo[d]imidazol-2-oneMFCD009281901-(2'-Hydroxy-5'-trifluoromethylphenyl)-5-trifluoromethyl-2(3H)-benzimidazolone1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1,3-dihydro-2h-benzimidazol-2-one
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Density
- 1.563 · 1.563±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 45 % · 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.47 mg/mL
- pka
- 8.32 · 8.32±0.48(Predicted)
- form
- solid
- color
- white
- Water Solubility
- 45 % · 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.47mg/mLethanol: 26.6mg/mL0.1 M NaOH: 5.2mg/mLDMSO: 5.3mg/mLH2O: insoluble
- InChI
- InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
- InChIKey
- YLFMCMWKHSDUCT-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C2=CC(C(F)(F)F)=CC=C2O)C2=CC=C(C(F)(F)F)C=C2N1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesNS 1619 is a large conductance calcium-activated potassium channels (BKCa) activator and has been shown to induce precondition in the heart.
Suppliers75 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Related reactions
2 records
Compound notes
Loading…