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CAY10721

CAT: 0013-GTR19191820-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191820-01Size:1 mg
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Description
CAY10721 is a SIRT3 inhibitor (39% inhibition at 200 μM) used in cancer research. Elevated SIRT3 is linked to oral and breast cancer progression, while its suppression, as studied in vitro, can reduce OSCC cell growth and enhance their sensitivity to chemo- and radiotherapy.
CAS Number
848688-62-0
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
OC1=CC (NC (=O) CSC2=NC=NC3=C2OC2=C3C=CC=C2) =CC=C1
Molecular Formula
C18H13N3O3S
Molecular Weight
351.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-hydroxyphenyl)acetamide
CAS Number848688-62-0
PubChem CID4539515
IUPAC Name2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-hydroxyphenyl)acetamide
Molecular FormulaC18H13N3O3S
Molecular Weight351.4
XLogP3.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity480
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)O
InChI
InChI=1S/C18H13N3O3S/c22-12-5-3-4-11(8-12)21-15(23)9-25-18-17-16(19-10-20-18)13-6-1-2-7-14(13)24-17/h1-8,10,22H,9H2,(H,21,23)
InChIKey
ZXXJUSSVHKICFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-hydroxyphenyl)acetamide
CAS: 848688-62-0
CID: 4539515
Formula: C18H13N3O3S
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass351.06776246
Monoisotopic Mass351.06776246
Topological Polar Surface Area114 Ų
Heavy Atom Count25
Formal Charge0
Complexity480
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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