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JMS-17-2

CAT: 0013-GTR19163361-04Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163361-04Size:2 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 potent and selective antagonist of CX3CR1 with IC50 of 0.32 nM, displays significant selectivity for CX3CR1 over other chemokine receptors such CXCR2, CXCR1, and CXCR4 (IC50>1 uM) ; effectively blocks FKN-induced ERK phosphorylation, also significantly reduces the migration of breast cancer cells in vitro; impairs metastatic seeding and colonization of breast cancer cells, shows long-term anti-tumor effects in vivo.
CAS Number
1380392-05-1
Product Name Alternative
JMS-17-2 | JMS172 | JMS 17 2 | JMS17-2 | JMS-172
Field of Research
Epigenetics & Chromatin
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 25 mg/mL (59.53 mM)
Smiles
O=C1C2=CC=CN2C3=C (C=CC=C3) N1CCCN4CCC (C5=CC=C (Cl) C=C5) CC4
Molecular Formula
C25H26ClN3O
Molecular Weight
419.953
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
5-[3-[4- (4-Chlorophenyl) -1-piperidinyl]propyl]pyrrolo[1,2-a]quinoxalin-4 (5H) -one

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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