568526-77-2

568526-77-2 structure

Name: KRH-1636
Chemical Name: N-[(2S)-5-[(Diaminomethylene)amino]-1-{[(1S)-1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamide
CAS Number: 568526-77-2
Molecular Formula: C₃₂H₃₇N₇O₂
Molecular Weight: 551.682
Create Date: 2020-01-12 11:46:50
Modify Date: 2024-09-15 18:08:38
A potent, selective inhibitor of CXCR4 with IC50 of 13 nM, has no effect on CXCR1, CCR3, CCR4, or CCR5; completely inhibits X4 HIV-1 (IIIB strain) replication in MT-4 cells with EC50 of 19.3 nM and EC90 of 47.8 nM, without cytotoxic concentration (CC50>400 uM), also has effectivity against HTLV-IIIB and three clinical isolates in PBMCs including YU-6 (EC50=46 nM), but not R5 HIV-1, YU-1, YU-2; selectively blocks CXCR4-mediated Ca2+ signaling, blocks X4 HIV-1 replication in human PBL/SCID mice.

Name	N-[(2S)-5-[(Diaminomethylene)amino]-1-{[(1S)-1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamide
Synonyms	Benzamide, N-[(1S)-4-[(diaminomethylene)amino]-1-[[[(1S)-1-(1-naphthalenyl)ethyl]amino]carbonyl]butyl]-4-[[(2-pyridinylmethyl)amino]methyl]- N-[(2S)-5-[(Diaminomethylene)amino]-1-{[(1S)-1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamide

Description	A potent, selective inhibitor of CXCR4 with IC50 of 13 nM, has no effect on CXCR1, CCR3, CCR4, or CCR5; completely inhibits X4 HIV-1 (IIIB strain) replication in MT-4 cells with EC50 of 19.3 nM and EC90 of 47.8 nM, without cytotoxic concentration (CC50>400 uM), also has effectivity against HTLV-IIIB and three clinical isolates in PBMCs including YU-6 (EC50=46 nM), but not R5 HIV-1, YU-1, YU-2; selectively blocks CXCR4-mediated Ca2+ signaling, blocks X4 HIV-1 replication in human PBL/SCID mice.
References	References 1. Ichiyama K, et al. Proc Natl Acad Sci U S A. 2003 Apr 1;100(7):4185-90. 2. Murakami T, et al. Antimicrob Agents Chemother. 2009 Jul;53(7):2940-8. 3. Zachariassen ZG, et al. J Med Chem. 2015 Oct 22;58(20):8141-53. View Related Products by Target Chemokine Receptor (CCR and CXCR)