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RR6

CAT: 0804-HY-18780-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18780-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RR6 is a potent, selective, reversible, competitive and orally active vanin inhibitor with an IC50 of 540 nM for recombinant vanin-1. RR6 also potently inhibits human, bovine and rat serum pantetheinase with IC50 values of 40 nM, 41 nM and 87 nM, respectively[1].
CAS Number
1351758-37-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Pantetheinase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/RR6.html
Purity
99.65
Solubility
DMSO : ≥ 100 mg/mL
Smiles
CC(C)(CO)[C@@H](O)C(NCCC(CC1=CC=CC=C1)=O)=O
Molecular Formula
C16H23NO4
Molecular Weight
293.36
Precautions
H302, H315, H319, H335
References & Citations
[1]Jansen PA et al. Discovery of small molecule vanin inhibitors: new tools to study metabolism and disease. ACS Chem Biol. 2013 Mar 15;8 (3) :530-4.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-4-phenylbutyl)butanamide
CAS Number1351758-37-6
PubChem CID54754611
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-4-phenylbutyl)butanamide
Molecular FormulaC16H23NO4
Molecular Weight293.36
XLogP0.7
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity348
SMILES
CC(C)(CO)[C@H](C(=O)NCCC(=O)CC1=CC=CC=C1)O
InChI
InChI=1S/C16H23NO4/c1-16(2,11-18)14(20)15(21)17-9-8-13(19)10-12-6-4-3-5-7-12/h3-7,14,18,20H,8-11H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKey
PTVUGLNOPRZQEY-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-4-phenylbutyl)butanamide
CAS: 1351758-37-6
CID: 54754611
Formula: C16H23NO4
MW: 293.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.36
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass293.16270821
Monoisotopic Mass293.16270821
Topological Polar Surface Area86.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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