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RB-005

CAT: 0931-T70704-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70704-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1425049-20-2
Target
S1P Receptor, Others
Related Pathways
GPCR/G Protein, Others
Bioactivity
RB-005 is a potent sphingosine kinase isoform 1 (SK1) inhibitor, which may serve as therapeutic agent for proliferative diseases, including hypertension. RB-005, (IC (50) = 3.6 μM), which also induced proteasomal degradation of SK1 in human pulmonary arterial smooth muscle cells.
Smiles
C(CN1CCC(O)CC1)C2=CC=C(CCCCCCCC)C=C2
Molecular Formula
C21H35NO
Molecular Weight
317.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Octylphenethyl)piperidin-4-ol

structure in first source

CAS Number1425049-20-2
PubChem CID71546264
IUPAC Name1-[2-(4-octylphenyl)ethyl]piperidin-4-ol
Molecular FormulaC21H35NO
Molecular Weight317.5
XLogP6.1
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity278
SMILES
CCCCCCCCC1=CC=C(C=C1)CCN2CCC(CC2)O
InChI
InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)13-16-22-17-14-21(23)15-18-22/h9-12,21,23H,2-8,13-18H2,1H3
InChIKey
PXLXLCZHGHRZAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Octylphenethyl)piperidin-4-ol
CAS: 1425049-20-2
CID: 71546264
Formula: C21H35NO
MW: 317.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.5
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass317.271864740
Monoisotopic Mass317.271864740
Topological Polar Surface Area23.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity278
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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