Compound Summary
261901-57-9
Compound Information
261901-57-9
Compound Name: | 261901-57-9 |
Compound CID: | 11957684 |
Synonyms: | 261901-57-9 SB 269970 hydrochloride SB-269970 hydrochloride SB269970 HCl SB-269970 (hydrochloride) More... |
Iupac Name: | 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol;hydrochloride |
InChI: | InChI=1S/C18H28N2O3S.ClH/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18;/h2,5-6,14-16,21H,3-4,7-13H2,1H3;1H/t16-;/m1./s1 |
InChIKey: | XQCJOYZLWFNDIO-PKLMIRHRSA-N |
Canonical Smiles: | CC1CCN(CC1)CCC2CCCN2S(=O)(=O)C3=CC=CC(=C3)O.Cl |
Isomeric Smiles: | CC1CCN(CC1)CC[C@H]2CCCN2S(=O)(=O)C3=CC=CC(=C3)O.Cl |
Molecular Weight: | 389 |
Molecular Formula: | C18H29ClN2O3S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
261901-57-9
Molecular Weight: | 389 |
Molecular Formula: | C18H29ClN2O3S |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 25 |
Complexity: | 497 |
Synonyms
261901-57-9
| 261901-57-9 | 261901-57-9 |
|---|---|
261901-57-9 |
SB 269970 hydrochloride |
SB-269970 hydrochloride |
SB269970 HCl |
SB-269970 (hydrochloride) |
(R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol hydrochloride |
SB 269970A |
MFCD03788020 |
Phenol, 3-(2R)-2-2-(4-methyl-1-piperidinyl)ethyl-1-pyrrolidinylsulfonyl-, hydrochloride (1:1) |
261901-57-9 (HCl) |
(R)-3-((2-(2-(4-METHYLPIPERIDIN-1-YL)ETHYL)PYRROLIDIN-1-YL)SULFONYL)PHENOL HCL |
3-(2R)-2-2-(4-methylpiperidin-1-yl)ethylpyrrolidine-1-sulfonylphenol hydrochloride |
(2R)-1-(3-Hydroxyphenyl)sulfonyl-2-2-(4-methyl-1-piperidinyl)ethylpyrrolidine hydrochloride |
SR-01000076135 |
EU-0101059 |
(R)-3-2-2-(4-Methylpiperidin-1-yl)ethylpyrrolidine-1-sulfonylphenol hydrochloride |
C18H29ClN2O3S |
C18H28N2O3S.HCl |
MLS002153418 |
SB 269970 hcl |
SCHEMBL2719586 |
CHEMBL1256844 |
SB-269970 HCl |
DTXSID501017392 |
BCP14529 |
BIA03874 |
Tox21_501059 |
2275AB |
HY-15370A |
s2849 |
AKOS016004346 |
CCG-222363 |
CS-1644 |
LP01059 |
SB-269970A |
NCGC00094341-01 |
NCGC00261744-01 |
AS-74705 |
SMR001230794 |
SW220129-1 |
H10012 |
S 7389 |
J-013020 |
J-016312 |
SR-01000076135-2 |
SR-01000076135-3 |
SB-269970 hydrochloride, powder, >=98% (HPLC) |
(R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidin-1-ylsulfonyl)phenol hydrochloride |
R-3-2-(2-4-Methyl-piperidin-1-ylethyl)pyrrolidine-1-sulfonylphenol hydrochloride |
3-(2R)-2-2-(4-methylpiperidin-1-yl)ethylpyrrolidin-1-ylsulfonylphenol;hydrochloride |
3-{(2R)-2-2-(4-methylpiperidin-1-yl)ethylpyrrolidin-1-ylsulfonyl}phenol hydrochloride |
(2r)-1-(3-hydroxyphenyl)sulfonyl-2-2-(4-methyl-1-piperidinyl)ethyl pyrrolidine hydrochloride |
Experimental Data
261901-57-9
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 7.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
261901-57-9
Statistics Data
261901-57-9
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 7.000000000000000 | 1 | 1 |
Statistics Data Visualization
261901-57-9
