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RPR107393 free base

CAT: 0931-T12765-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T12765-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
197576-78-6
Target
Transferase, Others
Related Pathways
Metabolism, Others
Purity
0.9957
Bioactivity
RPR107393 free base is a selective and potent inhibitor of squalene synthase (SQS) for the study of neurological disorders and endocrine and metabolic disorders.
Smiles
OC1(C2=CC=C(C=C2)C3=CC=C4N=CC=CC4=C3)CN5CCC1CC5
Molecular Formula
C22H22N2O
Molecular Weight
330.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RPR107393 free base
CAS Number197576-78-6
PubChem CID9883981
IUPAC Name3-(4-quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
Molecular FormulaC22H22N2O
Molecular Weight330.4
XLogP3.3
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity467
SMILES
C1CN2CCC1C(C2)(C3=CC=C(C=C3)C4=CC5=C(C=C4)N=CC=C5)O
InChI
InChI=1S/C22H22N2O/c25-22(15-24-12-9-20(22)10-13-24)19-6-3-16(4-7-19)17-5-8-21-18(14-17)2-1-11-23-21/h1-8,11,14,20,25H,9-10,12-13,15H2
InChIKey
JICDBMXIQNEXKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RPR107393 free base
CAS: 197576-78-6
CID: 9883981
Formula: C22H22N2O
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass330.173213330
Monoisotopic Mass330.173213330
Topological Polar Surface Area36.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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