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Details

Stereochemistry ACHIRAL
Molecular Formula C31H31N5O2S2
Molecular Weight 569.74
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SRT-3025

SMILES

COCCCC1=C(N=C(S1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C4=NC5=C(S4)N=CC(CN6CCCC6)=C5

InChI

InChIKey=MRRXPMZNBRXCPZ-UHFFFAOYSA-N
InChI=1S/C31H31N5O2S2/c1-38-17-9-14-26-27(35-29(39-26)22-10-3-2-4-11-22)28(37)33-24-13-6-5-12-23(24)30-34-25-18-21(19-32-31(25)40-30)20-36-15-7-8-16-36/h2-6,10-13,18-19H,7-9,14-17,20H2,1H3,(H,33,37)

HIDE SMILES / InChI

Molecular Formula C31H31N5O2S2
Molecular Weight 569.74
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

SIRTUIN MODULATOR 1 is a sirtuin modulator developed by Sirtris Pharmaceuticals, Inc. for treating insulin resistance and metabolic syndrome.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
The mass spectrometry assay is conducted as follows: 0.5 μM peptide substrate and 120 μM βNAD+ is incubated with 10 nM SIRTl for 25 minutes at 250C in a reaction buffer (50 mM Tris-acetate pH 8, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 5 mM DTT, 0.05% BSA). SIRTUIN MODULATOR 1 was added to the reaction and after the 25 minute incubation with SIRTl, 10 μL of 10% formic acid is added to stop the reaction. Reactions are sealed and frozen for later mass spec analysis
Substance Class Chemical
Record UNII
L4WQ6846SR
Record Status Validated (UNII)
Record Version