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JMS-17-2 - 98%, high purity , CAS No.1380392-05-1, Antagonist of CX 3CR1

COA COA
In stock
Item Number
J412197
Grouped product items
SKU Size
Availability
 Price Qty
J412197-5mg
5mg
3
$97.90
J412197-25mg
25mg
3
$266.90
J412197-50mg
50mg
3
$434.90
J412197-100mg
100mg
3
$783.90
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GPR Antagonists

View related series
CX3CR1 (7) CX3CR1 Antagonist (1) Immunology/Inflammation (1929)

Basic Description

Synonyms 5-(3-(4-(4-chlorophenyl)piperidin-1-yl)propyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms JMS-17-2 is a potent and selective small-molecule antagonist of CX3C chemokine receptor 1 (CX3CR1/GPR13) with IC50 of 0.32 nM. JMS-17-2 is used in the research of metastatic disease in breast cancer patients.
Storage Temp Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type ANTAGONIST
Mechanism of action Antagonist of CX 3CR1
Product Description

Information

JMS-17-2 JMS-17-2 is a potent and selective small-molecule antagonist of CX3C chemokine receptor 1 (CX3CR1/GPR13) with IC50 of 0.32 nM. JMS-17-2 is used in the research of metastatic disease in breast cancer patients.


Targets

GPR13 (Cell-free assay) 0.32 nM

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Diazanaphthalenes
Subclass Benzodiazines
Intermediate Tree Nodes Quinoxalines
Direct Parent Pyrroloquinoxalines
Alternative Parents Phenylpiperidines  Pyrrolopyrazines  Chlorobenzenes  Aralkylamines  Pyrazines  Aryl chlorides  Pyrroles  Heteroaromatic compounds  Trialkylamines  Lactams  Azacyclic compounds  Organooxygen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Pyrroloquinoxaline - Phenylpiperidine - Pyrrolopyrazine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrazine - Benzenoid - Pyrrole - Heteroaromatic compound - Lactam - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as pyrroloquinoxalines. These are organic heterocyclic compounds containing a pyrrole ring fused to a quinoxaline ring system.
External Descriptors Not available

Product Properties

ALogP 5.224
hba_count 1
Rotatable Bond 5

Associated Targets(Human)

CX3CR1 Tchem CX3C chemokine receptor 1 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FPR2 Tchem Lipoxin A4 receptor (3472 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504771588
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771588
IUPAC Name 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-one
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
Smiles C1CN(CCC1C2=CC=C(C=C2)Cl)CCCN3C4=CC=CC=C4N5C=CC=C5C3=O
Isomeric SMILES C1CN(CCC1C2=CC=C(C=C2)Cl)CCCN3C4=CC=CC=C4N5C=CC=C5C3=O
Molecular Weight 419.95
Reaxy-Rn 22550723
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22550723&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
H2213331 Certificate of Analysis May 12, 2025 J412197
H2213336 Certificate of Analysis May 12, 2025 J412197
H2213334 Certificate of Analysis May 12, 2025 J412197
H2213332 Certificate of Analysis May 12, 2025 J412197

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 10 mg/mL (23.81 mM); Ethanol: 10 mg/mL (23.81 mM); Water: Insoluble;
Sensitivity Light sensitive
DMSO(mg / mL) Max Solubility 40
DMSO(mM) Max Solubility 95.2494344564829
Water(mg / mL) Max Solubility ＜1
Molecular Weight 419.900 g/mol
XLogP3 5.000
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 419.176 Da
Monoisotopic Mass 419.176 Da
Topological Polar Surface Area 28.500 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 585.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

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