KRH-3955 is a CXCR4 antagonist with good bioavailability and potent anti-HIV-1 activity. KRH-3955 can effectively inhibit the replication of X4 HIV-1 , including clinical isolates from different donors. KRH-3955 also shows activity against recombinant X4 HIV-1 containing reverse transcriptase , protease and tyrosinase resistance mutations. KRH-3955 can inhibit the binding of SDF-1alpha to CXCR4 and calcium ion signaling through this receptor. KRH-3955 inhibits the binding of an antibody against CXCR4 to CXCR4 , showing a potent antagonistic effect on CXCR4. KRH-3955 shows an oral bioavailability of 25.6% in rats and can inhibit the replication of X4 HIV-1 in vivo.
| Sonrisas canónicas | CCCN(CCC)CCCCN(C)CC1=CC=C(C=C1)CN(CC2=NC=CN2)CC3=NC=CN3C.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | 2,3-dihydroxybutanedioic acid;N-[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]-N-methyl-N',N'-dipropylbutane-1,4-diamine |
| InChIKey | PVKNAUJEVORNRR-UHFFFAOYSA-N |
| INCHI | 1S/C28H45N7.3C4H6O6/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4;3*5-1(3(7)8)2(6)4(9)10/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30);3*1-2,5-6H,(H,7,8)(H,9,10) |
| Isómeros SMILES | CCCN(CCC)CCCCN(C)CC1=CC=C(C=C1)CN(CC2=NC=CN2)CC3=NC=CN3C.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O |
| PubChem CID | 74942749 |
| Términos de entrada MeSH | KRH 3955;KRH-3955;KRH3955;N,N-dipropyl-N'-(4-((((1H-imidazol-2-yl)methyl)((1-methyl-1H-imidazol-2-yl) methyl)amino)methyl)benzyl)-N'-methylbutane-1,4-diamine |
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