Basic information
- CAS
733734-61-7- Standard SMILES
COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCN(C)C3)c2)cc1OC- InChIKey
BPOWQJYAMDEAFF-CYBMUJFWSA-N- Molecular formula
- C20H22BrF3N2O5S
- Average molar mass
- 539.4 g/mol
- Monoisotopic mass
- 538.03849
Overview
nonpeptidic urotensin-II receptor antagonist; structure in first source
Names & identifiers
- Preferred name
- SB-706375
- IUPAC
- 2-bromo-4,5-dimethoxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
- English name
- BenzenesulfonaMide, 2-broMo-4,5-diMethoxy-N-[3-[[(3R)-1-Methyl-3-pyrrolidinyl]oxy]-4-(trifluoroMethyl)phenyl]-
- Molecular formula
- C20H22BrF3N2O5S
- Molecular weight
- 539.36
Names & synonyms
733734-61-7SB-706375SB7063752-bromo-4,5-dimethoxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide96711H97SD2-Bromo-4,5-dimethoxyn-(3-(((3R)-1-methyl-3-pyrrolidinyl)oxy)-4-(trifluoromethyl)phenyl)benzenesulfonamide2-bromo-4,5-dimethoxy-N-(3-((3R)-1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)phenyl)benzenesulfonamideRefChem:181584(2-bromo-4,5-dimethoxy-N-(3-(R)-1-methyl-pyrrolidin-3-yloxy)-4-trifluro-methyl-phenyl)-benzenesulphonamide HClSB 706375CHEMBL522770UNII-96711H97SD
Show more names
2-Bromo-4,5-dimethoxy-N-[3-[[(3R)-1-methyl-3-pyrrolidinyl]oxy]-4-(trifluoromethyl)phenyl]benzenesulfonamideBenzenesulfonaMide, 2-broMo-4,5-diMethoxy-N-[3-[[(3R)-1-Methyl-3-pyrrolidinyl]oxy]-4-(trifluoroMethyl)phenyl]-
(R)-2-Bromo-4,5-dimethoxy-N-(3-((1-methylpyrrolidin-3-yl)oxy)-4-(trifluoromethyl)phenyl)benzenesulfonamideBPOWQJYAMDEAFF-CYBMUJFWSA-NGTPL2165orb1704087SCHEMBL5835165DTXSID601357246BDBM50249878EX-A14662
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 723
Physicochemical properties
- storage temp.
- Store at RT
- solubility
- 100 mM · Soluble to 100 mM in DMSO
- form
- Powder
- color
- White to off-white
- FDA UNII
- 96711 H97SD · 96711H97SD
Chemistry & industry
Applications
UsesSB 706375 has high affinity towards the non-peptide antagonist of the urotensin-II (UT). This includes high affinity towards mammalian UT receptors which include human, mouse and rat.
Suppliers8 total
Aladdin Scientific[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…