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JMS-17-2

CAT: 0013-GTR19169460-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169460-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JMS-17-2 is a highly potent and selective CX3CR1 antagonist with a sub-nanomolar IC50 of 0.32 nM. This small molecule inhibitor is a valuable research tool for investigating the role of the CX3CL1/CX3CR1 axis in neuroinflammation, atherosclerosis, and other disease models in both cellular and animal studies.
CAS Number
1380392-05-1
Product Name Alternative
Inhibitor, GPR13, fractalkine receptor, JMS 17 2, JMS172, JMS-17-2, inhibit, CX3C chemokine receptor1, CX3CR1
Field of Research
Cell Biology, Epigenetics & Chromatin, Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
DMSO:11 mg/mL (26.19 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.76 mM)
Smiles
Clc1ccc (cc1) C1CCN (CCCn2c3ccccc3n3cccc3c2=O) CC1
Molecular Formula
C25H26ClN3O
Molecular Weight
419.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(3-(4-(4-chlorophenyl)piperidin-1-yl)propyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CAS Number1380392-05-1
PubChem CID57382073
IUPAC Name5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-one
Molecular FormulaC25H26ClN3O
Molecular Weight419.9
XLogP5
Topological Polar Surface Area28.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity585
SMILES
C1CN(CCC1C2=CC=C(C=C2)Cl)CCCN3C4=CC=CC=C4N5C=CC=C5C3=O
InChI
InChI=1S/C25H26ClN3O/c26-21-10-8-19(9-11-21)20-12-17-27(18-13-20)14-4-16-29-23-6-2-1-5-22(23)28-15-3-7-24(28)25(29)30/h1-3,5-11,15,20H,4,12-14,16-18H2
InChIKey
WOSMCMULWWHMIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-(4-(4-chlorophenyl)piperidin-1-yl)propyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CAS: 1380392-05-1
CID: 57382073
Formula: C25H26ClN3O
MW: 419.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.9
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass419.1764402
Monoisotopic Mass419.1764402
Topological Polar Surface Area28.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity585
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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S0135-01JMS-17-2
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A19100-100JMS-17-2 100mg

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