Celastrol 0.12μM R05 exp225
Mechanism of Action
Putative antioxidant, anti-inflammatory, antiobesity anticancer, proteasome inhibitor
- Class / Subclass 1: Uncharacterized Mechanism / Natural Product
- Class / Subclass 2: Proteostasis / Ubiquitin-Proteasome Inhibitor
Technical Notes
Compound References
- PubChem Name: Celastrol
- Synonyms: Celastrol
- CAS #: 34157-83-0
- PubChem CID: 122724
- IUPAC: (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
- INCHI Name: InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
- INCHI Key: KQJSQWZMSAGSHN-JJWQIEBTSA-N
- Molecular Weight: 450.6
- Canonical SMILES: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
- Isomeric SMILES: CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O
- Molecular Formula: C29H38O4
Compound Supplier
- Supplier Name: Sigma-Aldrich
- Catalog #: C0869
- Lot #: 18134
Compound Characterization
- HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C29H38O4 451.28429; found 451.2861
Dose Response Curve
- Platform ID: Celastrol
- Min: 0.0523; Max: 99.6884
| IC | Concentration (µM) |
|---|---|
| IC10 | N/A |
| IC20 | 0.0955 |
| IC30 | 0.1091 |
| IC40 | 0.1218 |
| IC50 | 0.1347 |
| IC60 | N/A |
| IC70 | N/A |
| IC80 | N/A |
| IC90 | N/A |
Screen Summary
- Round: 05
- Dose: 120nM
- Days of incubation: 8
- Doublings: 6.8
- Numbers of reads: 17259093
Screen Results
| Sensitive/Resistant hits (FDR<0.05) | CRANKS | Score Plot | Top 30 Genes | Screen Similarity | Top 30 Sensitive GO terms | Top 30 Resistant GO terms |
|---|---|---|---|---|---|---|
| 3/0 | Scores |
Celastrol 0.12μM R05 exp225
Celastrol 0.12μM R05 exp225 vs EPZ-5676 30μM R05 exp233
