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Iso-SLR 080811

CAT: 0013-GTR19209461-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209461-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Iso-SLR 080811 is an isomer of the selective SphK2 inhibitor SLR 080811 (Ki=1.3 μM) . This tool compound modulates systemic S1P levels in a kinase-specific manner, as demonstrated in genetic mouse models, making it suitable for probing sphingolipid biology in both in vitro and in vivo research contexts.
CAS Number
1449768-36-8
Product Name Alternative
ACT 672125, ACT672125, (2R) -2-[3- (4-octylphenyl) -1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide hydrochloride, 1-Pyrrolidinecarboximidamide, 2-[3- (4-octylphenyl) -1,2,4-oxadiazol-5-yl]-, hydrochloride (1:1), (2R) -, Iso-SLR080811, SLR080811 HCl
Field of Research
Pharmacology & Drug Discovery
Purity
98.34% (May vary between batches)
Smiles
C (=N) (N) N1[C@H] (CCC1) C2=NC (=NO2) C3=CC=C (CCCCCCCC) C=C3.Cl
Molecular Formula
C21H32ClN5O
Molecular Weight
405.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SLR080811 HCl
CAS Number1449768-36-8
PubChem CID118734391
IUPAC Name(2R)-2-[3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
Molecular FormulaC21H32ClN5O
Molecular Weight406.0
Topological Polar Surface Area92
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity452
SMILES
CCCCCCCCC1=CC=C(C=C1)C2=NOC(=N2)[C@H]3CCCN3C(=N)N.Cl
InChI
InChI=1S/C21H31N5O.ClH/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23;/h11-14,18H,2-10,15H2,1H3,(H3,22,23);1H/t18-;/m1./s1
InChIKey
SHNUYJZAJHWURD-GMUIIQOCSA-N
Chemical Structure
2D Structure
2D structure of SLR080811 HCl
CAS: 1449768-36-8
CID: 118734391
Formula: C21H32ClN5O
MW: 406.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass405.2295384
Monoisotopic Mass405.2295384
Topological Polar Surface Area92 Ų
Heavy Atom Count28
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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