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C5a anaphylatoxin chemotactic receptor 1 (C5AR1)

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  1. W 54011, Antagonist of C5a 1 receptor
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    W 54011, Antagonist of C5a 1 receptor
    CAS: 405098-33-1 PubChem CID: 5311121 Formula: C30H37ClN2O2 Molecular Weight: 493.08
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    In Stock Item #: W287176
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    IUPAC Name
    N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
    SMILES
    CC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)N(C)C)C(=O)C3CCCC4=C3C=C(C=C4)OC.Cl
    InChIKey
    UKBJWRMNGCDKNL-UHFFFAOYSA-N
    InChI
    1S/C30H36N2O2.ClH/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28;/h9-19,21,28H,6-8,20H2,1-5show more
    Synonyms
    N-(4-(Dimethylamino)benzyl)-N-(4-isopropylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide hydrochloride...
  2. PMX 53
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    PMX 53
    CAS: 219639-75-5 PubChem CID: 6918468 Formula: C47H65N11O7 Molecular Weight: 896.1
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    Out of Stock Item #: P422637
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    IUPAC Name
    (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7show more
    SMILES
    CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)N
    InChIKey
    YOKBGCTZYPOSQM-HPSWDUTRSA-N
    InChI
    1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34show more
  3. Rolapitant, Antagonist of NK 1 receptor
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    Rolapitant, Antagonist of NK 1 receptor
    CAS: 552292-08-7 EC Number: 812-147-5 PubChem CID: 10311306 Formula: C25H26F6N2O2 Molecular Weight: 500.48
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    In Stock Item #: R424706
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    IUPAC Name
    (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
    SMILES
    CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC3(CCC(=O)N3)CN2)C4=CC=CC=C4
    InChIKey
    FIVSJYGQAIEMOC-ZGNKEGEESA-N
    InChI
    1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14show more
    Synonyms
    A04AD14 | BBL023517 | ROLAPITANT [USAN] | Rolapitant [INN] | DDLLIYKVDWPHJI-RDBSUJKOSA-N | SY007106 | (5S,8S)-8-[[(1R...
  4. Rolapitant, Antagonist of NK 1 receptor
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    Rolapitant, Antagonist of NK 1 receptor
    CAS: 552292-08-7 EC Number: 812-147-5 PubChem CID: 10311306 Formula: C25H26F6N2O2 Molecular Weight: 500.48
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: R413290
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    Technical Identifiers
    IUPAC Name
    (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
    SMILES
    CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC3(CCC(=O)N3)CN2)C4=CC=CC=C4
    InChIKey
    FIVSJYGQAIEMOC-ZGNKEGEESA-N
    InChI
    1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14show more
    Synonyms
    A04AD14 | BBL023517 | ROLAPITANT [USAN] | Rolapitant [INN] | DDLLIYKVDWPHJI-RDBSUJKOSA-N | SY007106 | (5S,8S)-8-[[(1R...
  5. no_selection
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    RPR121154, Antagonist of C5a 1 receptor
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: R613288
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    IUPAC Name
    2-methyl-1-[3-phenyl-4-(2-phenylethoxy)phenyl]guanidine
    SMILES
    CN=C(Nc1ccc(c(c1)c1ccccc1)OCCc1ccccc1)N
    InChIKey
    QXDMVRPQHNFBSZ-UHFFFAOYSA-N
    InChI
    1S/C22H23N3O/c1-24-22(23)25-19-12-13-21(20(16-19)18-10-6-3-7-11-18)26-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H3,23,24,25)
    Synonyms
    RPR-121154
  6. no_selection
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    SX-517, Antagonist of CXCR2
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: S614275
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    IUPAC Name
    [2-[[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]phenyl]boronic acid
    SMILES
    Fc1ccc(cc1)NC(=O)c1ccc(nc1)SCc1ccccc1B(O)O
    InChIKey
    VZRIHFZJVIOJBE-UHFFFAOYSA-N
    InChI
    1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
    Synonyms
    HY-12927 | AKOS040749589 | (2-(((5-((4-Fluorophenyl)carbamoyl)pyridin-2-yl)thio)methyl)phenyl)boronic acid | 36UH926W...
  7. no_selection
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    PMX53, Antagonist of C5a 1 receptor
    CAS: 219639-75-5 PubChem CID: 6918468 Formula: C47H65N11O7 Molecular Weight: 896.1
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: rp174793
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    Technical Identifiers
    IUPAC Name
    (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7show more
    SMILES
    CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)N
    InChIKey
    YOKBGCTZYPOSQM-HPSWDUTRSA-N
    InChI
    1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34show more
    Synonyms
    Ac-(cyclo-2,6)-F-[OPdChaWR];PMX 53;PMX-53
  8. no_selection
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    NDT9520492, Antagonist of C5a 1 receptor
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: N612199
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    IUPAC Name
    (2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[(1R)-1-naphthalen-1-yl-3,4-dihydro-1H-isoquinolin-2-yl]propanamide
    SMILES
    C[C@H](N1CCc2c([C@@H]1c1cccc3c1cccc3)cccc2)C(=O)N(C1Cc2c(C1)cccc2)Cc1ccccc1F
    InChIKey
    OEINKGYXWSIVKM-KJICVINHSA-N
    InChI
    1S/C38H35FN2O/c1-26(38(42)41(25-31-15-6-9-20-36(31)39)32-23-29-13-2-3-14-30(29)24-32)40-22-21-28-12-5-8-18-34(28)37(40)35-19-10-16-27-11-4-7-17-33(27)show more
  11. N-[(4-dimethylaminophenyl)methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
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    N-[(4-dimethylaminophenyl)methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
    CAS: 405097-49-6 Formula: C30H36N2O2 Molecular Weight: 456.6
    Out of Stock Item #: N668910
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    Technical Identifiers
    IUPAC Name
    N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
    SMILES
    CC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)N(C)C)C(=O)C3CCCC4=C3C=C(C=C4)OC
    InChIKey
    DVYASSBBADJRAS-UHFFFAOYSA-N
    InChI
    1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3
    Synonyms
    W54011 | GTPL581 | DVYASSBBADJRAS-UHFFFAOYSA-N | EX-A7606 | BDBM50462086 | NCGC00387773-01 | N-[(4-dimethylaminopheny...
  12. n,n'-1,2-Phenylenebis(n,4-dimethylbenzenesulfonamide)
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    n,n'-1,2-Phenylenebis(n,4-dimethylbenzenesulfonamide)
    CAS: 29627-62-1 Formula: C22H24N2O4S2 Molecular Weight: 444.6
    Out of Stock Item #: N668205
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    Technical Identifiers
    IUPAC Name
    N,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=C(C=C3)C
    InChIKey
    WOBGBOUAUABUFZ-UHFFFAOYSA-N
    InChI
    1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
    Synonyms
    n,n'-1,2-phenylenebis(n,4-dimethylbenzenesulfonamide) | NSC101062 | Oprea1_370376 | CBDivE_001423 | DTXSID20295299 | ...
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