≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
SIRT5 inhibitor 1 is a potent Human Sirtuin 5 deacylase inhibitor, with an IC 50 of 0.11 μM.
In Vitro
SIRT5 inhibitor 1 (compound 49) is a very potent human sirtuin 5 deacylase inhibitor, with an IC 50 of 0.11 μM, >100-fold from compound 1. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 0.11 μM (Sirtuin)
| Canonical Smiles | C1CC(C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCNC(=S)NCCC(=O)O)NS(=O)(=O)C4=CC=CC(=C4)F |
|---|---|
| IUPAC Name | 3-[[(5S)-6-[[(2S)-1-(cyclobutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(3-fluorophenyl)sulfonylamino]-6-oxohexyl]carbamothioylamino]propanoic acid |
| InChIKey | NEJMWPNVCQYZKG-SVBPBHIXSA-N |
| INCHI | 1S/C31H39FN6O6S2/c32-21-7-5-10-23(18-21)46(43,44)38-26(13-3-4-15-33-31(45)34-16-14-28(39)40)29(41)37-27(30(42)36-22-8-6-9-22)17-20-19-35-25-12-2-1-11-24(20)25/h1-2,5,7,10-12,18-19,22,26-27,35,38H,3-4,6,8-9,13-17H2,(H,36,42)(H,37,41)(H,39,40)(H2,33,34,45)/t26-,27-/m0/s1 |
| Isomeric SMILES | C1CC(C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCCNC(=S)NCCC(=O)O)NS(=O)(=O)C4=CC=CC(=C4)F |
| PubChem CID | 134828254 |
| Molecular Weight | 674.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO : 125 mg/mL (185.24 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 674.800 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 17 |
| Exact Mass | 674.236 Da |
| Monoisotopic Mass | 674.236 Da |
| Topological Polar Surface Area | 222.000 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1150.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
