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2-[4-[3-(4-fluorophenoxy)-5-[[3-hydroxy-3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]phenoxy]phenyl]-2-methylpropanoic acid , CAS No.F608775, Antagonist of S1P 2 receptor

  • Moligand™
Item Number
F608775
Grouped product items
SKUSizeAvailabilityPrice Qty
F608775-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$246.90
F608775-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$858.90
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S1P2 receptor Antagonist

Basic Description

Synonymscompound 16
Specifications & PurityMoligand™
GradeMoligand™
Action TypeANTAGONIST
Mechanism of actionAntagonist of S1P 2 receptor

Associated Targets

S1PR5 Tclin Sphingosine 1-phosphate receptor 5 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

S1PR2 Tchem Sphingosine 1-phosphate receptor 2 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

S1PR4 Tclin Sphingosine 1-phosphate receptor 4 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

S1PR1 Tclin Sphingosine 1-phosphate receptor 1 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

S1PR3 Tclin Sphingosine 1-phosphate receptor 3 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Names and Identifiers

IUPAC Name 2-[4-[3-(4-fluorophenoxy)-5-[[3-hydroxy-3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]phenoxy]phenyl]-2-methylpropanoic acid
INCHI InChI=1S/C31H35FN2O6/c1-20(2)18-31(38)13-14-34(19-31)29(37)33-23-15-26(17-27(16-23)40-25-11-7-22(32)8-12-25)39-24-9-5-21(6-10-24)30(3,4)28(35)36/h5-12,15-17,20,38H,13-14,18-19H2,1-4H3,(H,33,37)(H,35,36)
InChi Key WCDFXVWDGHHCSI-UHFFFAOYSA-N
Canonical SMILES Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C
Isomeric SMILES CC(C)CC1(CCN(C1)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)C(C)(C)C(=O)O)O
PubChem CID 90309142

Certificates

Certificate of Analysis(COA)

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Related Documents

References

1. Roviezzo F, Brancaleone V, De Gruttola L, Vellecco V, Bucci M, D'Agostino B, Cooper D, Sorrentino R, Perretti M, Cirino G.  (2011)  Sphingosine-1-phosphate modulates vascular permeability and cell recruitment in acute inflammation in vivo..  J Pharmacol Exp Ther,  337  (3): (830-7).  [PMID:21421740]
2. Kusumi K, Shinozaki K, Yamaura Y, Hashimoto A, Kurata H, Naganawa A, Otsuki K, Matsushita T, Sekiguchi T, Kakuuchi A et al..  (2016)  Discovery of novel S1P2 antagonists, part 3: Improving the oral bioavailability of a series of 1,3-bis(aryloxy)benzene derivatives..  Bioorg Med Chem Lett,  26  (4): (1209-13).  [PMID:26794040]

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