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SIRT-IN-6

CAT: 0931-T204971-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204971-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1431411-18-5
Target
Sirtuin
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic
Bioactivity
SIRT-IN-6 (Compound 14) is a pan-inhibitor of SIRT1/2/3 with an IC50 value of >50 μM. It shows potential as a research agent for studies involving metabolic disorders, inflammation, cancer, and neurodegenerative diseases.
Smiles
O=C(N)C=1SC=2C(Cl)=NC=NC2C1
Molecular Formula
C7H4ClN3OS
Molecular Weight
213.644
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Chlorothieno[3,2-d]pyrimidine-6-carboxamide
CAS Number1431411-18-5
PubChem CID71654770
IUPAC Name4-chlorothieno[3,2-d]pyrimidine-6-carboxamide
Molecular FormulaC7H4ClN3OS
Molecular Weight213.65
XLogP1.5
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity228
SMILES
C1=C(SC2=C1N=CN=C2Cl)C(=O)N
InChI
InChI=1S/C7H4ClN3OS/c8-6-5-3(10-2-11-6)1-4(13-5)7(9)12/h1-2H,(H2,9,12)
InChIKey
UGHXFHLQVJRWID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorothieno[3,2-d]pyrimidine-6-carboxamide
CAS: 1431411-18-5
CID: 71654770
Formula: C7H4ClN3OS
MW: 213.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.65
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass212.9763606
Monoisotopic Mass212.9763606
Topological Polar Surface Area97.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity228
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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BM166497-01Sirt-IN-2
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