Compound Summary
Compound Information
Sulindac sulfide
Compound Name: | Sulindac sulfide |
Compound CID: | 5352624 |
Synonyms: | Sulindac sulfide 49627-27-2 (Z)-Sulindac sulfide UNII-6UVA8S2DEY 32004-67-4 More... |
Iupac Name: | 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid |
InChI: | InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9- |
InChIKey: | LFWHFZJPXXOYNR-MFOYZWKCSA-N |
Canonical Smiles: | CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O |
Isomeric Smiles: | CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O |
Molecular Weight: | 340.4 |
Molecular Formula: | C20H17FO2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Sulindac sulfide
Molecular Weight: | 340.4 |
Molecular Formula: | C20H17FO2S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 24 |
Complexity: | 546 |
Synonyms
Sulindac sulfide
| Sulindac sulfide | Sulindac sulfide |
|---|---|
Sulindac sulfide |
49627-27-2 |
(Z)-Sulindac sulfide |
UNII-6UVA8S2DEY |
32004-67-4 |
6UVA8S2DEY |
CHEMBL18797 |
CHEBI:75408 |
(Z)-5-Fluoro-2-methyl-1-p-(methylthio)benzylideneindene-3-acetic acid |
2-(3Z)-6-fluoro-2-methyl-3-(4-methylsulfanylphenyl)methylideneinden-1-ylacetic acid |
NCGC00161601-01 |
DSSTox_CID_29004 |
DSSTox_RID_83269 |
DSSTox_GSID_49078 |
MFCD00869764 |
Sulindac sulphide |
(Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid |
{(1Z)-5-fluoro-2-methyl-1-4-(methylsulfanyl)benzylidene-1H-inden-3-yl}acetic acid |
1H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-4-(methylthio)phenylmethylene-, (1Z)- |
2-(3z)-6-Fluoranyl-2-Methyl-3-(4-Methylsulfanylphenyl)methylideneinden-1-Ylethanoic Acid |
CAS-49627-27-2 |
Sulindac sulfide, (Z)- |
5-Fluoro-2-methyl-1-(p-methylthiobenzylidene)-3-indenyl acetic acid |
EINECS 256-403-9 |
UPCMLD-DP020 |
Sulindac Related Compound C |
SCHEMBL2586650 |
DTXSID0049078 |
UPCMLD-DP020:001 |
CHEBI:95256 |
cid_5352624 |
(Z)-2-(5-fluoro-2-methyl-1-(4-(methylthio)benzylidene)-1H-inden-3-yl)acetic acid |
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-4-(methylthio)phenylmethylene- |
HY-B1786 |
SFI |
Tox21_113636 |
5-fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-ylacetic acid |
BDBM50110164 |
NSC747692 |
ZINC12404515 |
AKOS015965586 |
Tox21_113636_1 |
CCG-208108 |
NSC-747692 |
(Z)-5-Fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-1H-indene-3-acetic acid |
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-, (Z)- |
NCGC00161601-02 |
AC-20512 |
Sulindac Sulfide - CAS 32004-67-4 |
Sulindac sulfide, >=98% (HPLC), solid |
UNM-0000306137 |
CS-0013817 |
004S674 |
SR-01000944868 |
SR-01000944868-1 |
BRD-K76525302-001-01-3 |
Q27145288 |
(Z)-5-fluoro-2-methyl-1-(4-methylthiobenzylidene) inden-3-ylacetic acid |
(Z)-5-fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-ylacetic acid |
(Z)-5-fluoro-2-methyl-1-(4-methythiobenzylidene)-3-indenylacetic acid |
5-Fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-yl acetic acid |
(Z)-5-fluoro-2-methyl-1-4-(methylthio)-phenylmethylene-1H-indene-3-acetic acid |
6-Fluoro-2-methyl-3-(4-methylsulfanyl-benzylidene)-3H-inden-1-yl-acetic acid |
2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid |
{6-Fluoro-2-methyl-3-1-(4-methylsulfanyl-phenyl)-meth-(E)-ylidene-3H-inden-1-yl}-acetic acid |
{6-Fluoro-2-methyl-3-1-4-(methyl-lambda*4*-sulfanyl)-phenyl-meth-(E)-ylidene-3H-inden-1-yl}-acetic acid |
Experimental Data
Sulindac sulfide
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10 | umol/L | 16.59 | 16.88 | 1.711 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 16.8 | 17.3 | 3.002 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 54.37 | 54.03 | -0.63 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 46.39 | 45.55 | -1.8 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
Sulindac sulfide
Statistics Data
Sulindac sulfide
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3.002 | 1 | 2 | |
| Drosophila melanogaster | -0.63 | 1 | 2 |
Statistics Data Visualization
Sulindac sulfide
