CAS 163042-96-4|2-CL-IB-MECA

Introduction:Basic information about CAS 163042-96-4|2-CL-IB-MECA, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name2-CL-IB-MECA
CAS Number163042-96-4Molecular Weight544.731
Density2.0±0.1 g/cm3Boiling Point/
Molecular FormulaC18H18ClIN6O4Melting Point209 °C
MSDSChineseUSAFlash Point/
Symbol
GHS07
Signal WordWarning

Names

Name(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
SynonymMore Synonyms

2-CL-IB-MECA BiologicalActivity

DescriptionNamodenoson (CF-102) is a selective A3 adenosine receptor agonist (Ki = 0.33 nM). Displays 2500- and 1400-fold selectivity over A1 and A2A receptors respectively.
Related CatalogSignaling Pathways >>GPCR/G Protein >>Adenosine ReceptorResearch Areas >>Cancer
Target

Ki:0.33 nM (A3 adenosine receptor)[1][2].

In VitroIn human ADF cells of astroglial lineage, 100 nM Namodenoson (2-Cl-IB-MECA) caused a marked reorganization of the cytoskeleton, with appearance of stress fibres and numerous cell protrusions. High concentrations of Namodenoson (2-Cl-IB-MECA) directly cause influx of Ca2+[2].
In VivoIntravenous administration of 200 μg/kg Namodenoson (2-Cl-IB-MECA) resulted in a short-lasting hypotension, which was accompanied by a 50-100-fold increase in plasma histamine concentrations. Administration of a second dose of Namodenoson (2-Cl-IB-MECA) did not elicit any hemodynamic effects[1].
References

[1]. Van Schaick EA et al. Hemodynamic effects and histamine release elicited by the selective adenosine A3 receptor agonist 2-Cl-IB-MECA in conscious rats. Eur J Pharmacol. 1996 Jul 25;308(3):311-4.

[2]. Jacobson KA et al. Adenosine A3 receptors: novel ligands and paradoxical effects. Trends Pharmacol Sci. 1998 May;19(5):184-91.

Chemical & Physical Properties

Density2.0±0.1 g/cm3
Melting Point209 °C
Molecular FormulaC18H18ClIN6O4
Molecular Weight544.731
Exact Mass544.012268
PSA134.42000
LogP3.14
Index of Refraction1.814
InChIKeyIPSYPUKKXMNCNQ-PFHKOEEOSA-N
SMILESCNC(=O)C1OC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C(O)C1O

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH315-H319-H335
Precautionary StatementsP261-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi: Irritant;
Risk PhrasesR36/37/38
Safety PhrasesS26
RIDADRNONH for all modes of transport
HS Code2934999090

Customs

HS Code2934999090
Summary2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles5

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Synonyms

CF102
CI-IB-MECA
2-Cl-IB-Meca
Cl-IB-MECA
Namodenoson
2-chloro-IB-MECA
(2S,3S,4R,5R)-5-{2-Chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide (non-preferred name)
UNII:Z07JR07J6C
CF-102
CF-102(2-Cl-IB-MECA)
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