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RBN012759

CAT: 0013-GTR19172736-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172736-05Size:10 mg
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Description
RBN012759 is a potent and highly selective inhibitor of PARP14, exhibiting an IC50 of 3 nM and >300-fold selectivity over other PARP family members. This small molecule is a valuable chemical probe for studying PARP14's role in cancer, inflammation, and metabolism in both cellular and animal models.
CAS Number
2360851-29-0
Product Name Alternative
Cancer, Inhibitor, inflammatory, inhibit, macrophage, PARP, PARP14, poly ADP ribose polymerase, RBN 012759, RBN012759, RBN-012759, pro-tumor
Field of Research
Epigenetics & Chromatin, Molecular Biology
Purity
98.87% (May vary between batches)
Solubility
DMSO:12 mg/mL (31.71 mM)
Smiles
O[C@H]1CC[C@@H] (CC1) SCc1nc2cc (OCC3CC3) cc (F) c2c (=O) [nH]1
Molecular Formula
C19H23FN2O3S
Molecular Weight
378.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(Cyclopropylmethoxy)-5-fluoro-2-(((trans-4-hydroxycyclohexyl)thio)methyl)quinazolin-4(1H)-one
CAS Number2360851-29-0
PubChem CID138696916
IUPAC Name7-(cyclopropylmethoxy)-5-fluoro-2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
Molecular FormulaC19H23FN2O3S
Molecular Weight378.5
XLogP2.8
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity549
SMILES
C1CC1COC2=CC3=C(C(=C2)F)C(=O)NC(=N3)CSC4CCC(CC4)O
InChI
InChI=1S/C19H23FN2O3S/c20-15-7-13(25-9-11-1-2-11)8-16-18(15)19(24)22-17(21-16)10-26-14-5-3-12(23)4-6-14/h7-8,11-12,14,23H,1-6,9-10H2,(H,21,22,24)
InChIKey
NKZDEFKPZSLQRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(Cyclopropylmethoxy)-5-fluoro-2-(((trans-4-hydroxycyclohexyl)thio)methyl)quinazolin-4(1H)-one
CAS: 2360851-29-0
CID: 138696916
Formula: C19H23FN2O3S
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass378.14134194
Monoisotopic Mass378.14134194
Topological Polar Surface Area96.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity549
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

Alternative Products

CatalogName
HY-136979-01RBN012759

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