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RG-12525

CAT: 0804-HY-101676-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101676-01Size:5 mg
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Description
RG-12525 is a a specific, competitive and orally effective antagonist of the peptidoleukotrienes, LTC4, LTD4 and LTE4, inhibiting LTC4-, LTD4- and LTE4-inducd guinea pig parenchymal strips contractions, with IC50s of 2.6 nM, 2.5 nM and 7 nM, respectively; RG-12525 is also a peroxisome proliferator-activated receptor gamma (PPAR-gamma) agonist with IC50 of appr 60 nM and a potent inhibitor of CYP3A4, with a Ki value of 0.5 μM.
CAS Number
120128-20-3
Product Name Alternative
NID 525
UNSPSC
12352005
Target
Cytochrome P450; Leukotriene Receptor; PPAR
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; GPCR/G Protein; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/RG-12525.html
Purity
98.31
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
C1(COC2=CC=C(OCC3=CC=CC=C3CC4=NN=NN4)C=C2)=NC5=CC=CC=C5C=C1
Molecular Formula
C25H21N5O2
Molecular Weight
423.47
References & Citations
[1]Van Inwegen RG, et al. Antagonism of peptidoleukotrienes and inhibition of systemic anaphylaxis by RG 12525 in guinea pigs. Life Sci. 1989;44 (12) :799-807.|[2]Fayer JL, et al. Lack of correlation between in vitro inhibition of CYP3A-mediated metabolism by a PPAR-gamma agonist and its effect on the clinical pharmacokinetics of midazolam, an in vivo probe of CYP3A activity. J Clin Pharmacol. 2001 Mar;41 (3) :305-16.|[3]Carnathan GW, et al. The effect of RG 12525 on leukotriene D4-mediated pulmonary responses in guinea pigs. Agents Actions. 1989 Jun;27 (3-4) :316-8.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CYP3; LTC4/CysLT2; LTD4/CysLT1; LTE4; PPARγ

Chemical Information

2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline

leukotriene D4 antagonist; structure in first source

CAS Number120128-20-3
PubChem CID129044
IUPAC Name2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
Molecular FormulaC25H21N5O2
Molecular Weight423.5
XLogP4.7
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity558
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=CC=CC=C4CC5=NNN=N5
InChI
InChI=1S/C25H21N5O2/c1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2,(H,27,28,29,30)
InChIKey
JELDFLOBXROBFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline
CAS: 120128-20-3
CID: 129044
Formula: C25H21N5O2
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass423.16952493
Monoisotopic Mass423.16952493
Topological Polar Surface Area85.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity558
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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