SB269970
Basic information
- CAS
201038-74-6- Standard SMILES
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1- InChIKey
HWKROQUZSKPIKQ-MRXNPFEDSA-N- Molecular formula
- C18H28N2O3S
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.18206393
Overview
3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]phenol is a sulfonamide.
Names & identifiers
- Preferred name
- SB269970
- IUPAC
- 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol
- English name
- SB 269970 hydrochloride
- Molecular formula
- C18H28N2O3S
- Molecular weight
- 352.49
Names & synonyms
201038-74-6SB-269970SB 269970SB269970KC8KP5XU6FSB-269970-ASB-269,970Pyrrolidine, 1-((3-hydroxyphenyl)sulfonyl)-2-(2-(4-methyl-1-piperidinyl)ethyl)-, (R)-3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl]phenol3-{[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl}phenol3-((2R)-2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl)phenol3-{(2R)-2-[2-(4-Methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl}phenol
Show more names
CS-776SB269970HClSB 269970 hydrochlorSB269970 (SB-269970A)SB 269970 hydrochloride(R)-1-[(3-Hydroxyphenyl)sulfonyl]-2-[2-(4-methyl-1-piperidinyl)ethyl]pyrrolidine
3-(((2R)-2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenolPyrrolidine, 1-[(3-hydroxyphenyl)sulfonyl]-2-[2-(4-methyl-1-piperidinyl)ethyl]-, (R)-RefChem:8846473-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl)phenol(R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenolCHEMBL282199Phenol, 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]-
Database identifiers
- CAS
201038-74-6- PubChem CID
- 6604889
- DTXSID
DTXSID90942127- ChEMBL
CHEMBL282199- ChEBI
CHEBI:92426- UNII
- KC8KP5XU6F
- Nikkaji
- J1.270.089J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 512.9 · 512.9±56.0 °C(Predicted)
- Density
- 1.188 · 1.188
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 2 O: · H2O: 22 mg/mL
- form
- solid
- pka
- 8.88 · 8.88±0.10(Predicted)
- color
- White to off-white
- FDA UNII
- 8 KP5XU6F · KC8KP5XU6F
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Applications
UsesSB 269970 is a selective and potent SR-7 antagonist.
Additional notes
DefinitionChEBI: 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]phenol is a sulfonamide.
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Related reactions
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Compound notes
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