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SRT3657

CAT: 0931-T13001-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T13001-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1383551-17-4
Target
Sirtuin
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic
Bioactivity
SRT3657 is a brain-permeable SIRT1 activator, has neuroprotective effect.
Smiles
N(C(=O)C=1C=C(NCCN(C(OC(C)(C)C)=O)C)N=C(CCCC)N1)C2=C(C=CC=C2)C3=NC=4C(S3)=NC=C(COC5CCN(C(OC(C)(C)C)=O)CC5)C4
Molecular Formula
C40H54N8O6S
Molecular Weight
774.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tert-butyl 4-[[2-[2-[[2-butyl-6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]pyrimidine-4-carbonyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-6-yl]methoxy]piperidine-1-carboxylate
CAS Number1383551-17-4
PubChem CID146047147
IUPAC Nametert-butyl 4-[[2-[2-[[2-butyl-6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]pyrimidine-4-carbonyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-6-yl]methoxy]piperidine-1-carboxylate
Molecular FormulaC40H54N8O6S
Molecular Weight775.0
XLogP6.8
Topological Polar Surface Area189
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count17
Heavy Atom Count55
Formal Charge0
Complexity1240
SMILES
CCCCC1=NC(=CC(=N1)NCCN(C)C(=O)OC(C)(C)C)C(=O)NC2=CC=CC=C2C3=NC4=C(S3)N=CC(=C4)COC5CCN(CC5)C(=O)OC(C)(C)C
InChI
InChI=1S/C40H54N8O6S/c1-9-10-15-32-43-30(23-33(46-32)41-18-21-47(8)37(50)53-39(2,3)4)34(49)44-29-14-12-11-13-28(29)35-45-31-22-26(24-42-36(31)55-35)25-52-27-16-19-48(20-17-27)38(51)54-40(5,6)7/h11-14,22-24,27H,9-10,15-21,25H2,1-8H3,(H,44,49)(H,41,43,46)
InChIKey
IXROIZHATNMRLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 4-[[2-[2-[[2-butyl-6-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]pyrimidine-4-carbonyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-6-yl]methoxy]piperidine-1-carboxylate
CAS: 1383551-17-4
CID: 146047147
Formula: C40H54N8O6S
MW: 775.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight775.0
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count17
Exact Mass774.38870265
Monoisotopic Mass774.38870265
Topological Polar Surface Area189 Ų
Heavy Atom Count55
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-136094SRT3657

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