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SLF1081851 hydrochloride

CAT: 0013-GTR19234629-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234629-01Size:10 mg
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Description
SLF1081851 (hydrochloride) is a potent Spns2 inhibitor that blocks S1P release with an IC50 of 1.93 μM. This tool compound is valuable for immunology research, enabling the study of S1P-mediated signaling in both cellular assays and animal models of immune function and regulation.
CAS Number
2999629-35-3
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CCN) C1=NC (=NO1) C2=CC=C (CCCCCCCCCC) C=C2.Cl
Molecular Formula
C21H34ClN3O
Molecular Weight
379.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SLF1081851 hydrochloride
CAS Number2999629-35-3
PubChem CID164946799
IUPAC Name3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
Molecular FormulaC21H34ClN3O
Molecular Weight380.0
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity318
SMILES
CCCCCCCCCCC1=CC=C(C=C1)C2=NOC(=N2)CCCN.Cl
InChI
InChI=1S/C21H33N3O.ClH/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)21-23-20(25-24-21)12-10-17-22;/h13-16H,2-12,17,22H2,1H3;1H
InChIKey
ZJJXKBLUUGLWDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SLF1081851 hydrochloride
CAS: 2999629-35-3
CID: 164946799
Formula: C21H34ClN3O
MW: 380.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass379.2390404
Monoisotopic Mass379.2390404
Topological Polar Surface Area64.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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