1800570-93-7

1800570-93-7 structure

1800570-93-7 structure

Name: CCR5 antagonist 2
Chemical Name: CCR5 antagonist 2
CAS Number: 1800570-93-7
Molecular Formula: C₃₂H₄₅F₂N₅O₂S
Molecular Weight: 601.79
Catalog: Signaling Pathways Anti-infection HIV
Create Date: 2023-01-26 10:09:30
Modify Date: 2024-04-06 16:53:40
CCR5 antagonist 2 (Compound 25) is a CCR5 antagonist with an IC50 of 8.34 nM. CCR5 antagonist 2 shows broad-spectrum anti-HIV-1 activities[1].

Name	CCR5 antagonist 2

Description	CCR5 antagonist 2 (Compound 25) is a CCR5 antagonist with an IC50 of 8.34 nM. CCR5 antagonist 2 shows broad-spectrum anti-HIV-1 activities[1].
Related Catalog	Signaling Pathways >> GPCR/G Protein >> CCR Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection Signaling Pathways >> Immunology/Inflammation >> CCR
Target	CCR5:8.34 nM (IC50) HIV-1:11 nM (EC50, TZM-bl cell)
In Vitro	CCR5 antagonist 2 (Compound 25) (48 h) 在 TZM-bl 细胞中表现出优异的 HIV-1 抑制活性，EC50 为 0.011 ± 0.002 μM[1]。 CCR5 antagonist 2 (48 h) 对 TZM-bl 细胞中亲 CCR5 整合酶抑制剂耐药株 HIV-1YU-2(G140S/Q148H) 具有抗病毒活性，EC50 为 4.34 ± 1.61 nM[1]。 CCR5 antagonist 2 对 HIV-1 菌株 KIZ001、YU-2、KIZ006、SF162 和 Ba-L 有抑制作用，EC50 分别为 7.82、8.73、12.61、15.99 和 16.93 nM[1]。
In Vivo	PK Properties of CCR5 antagonist 2 (Compound 25) in SD Rats[1] compd admin dose (mg/kg) Cmax (ng/mL) Tmax (h) T1/2 (h) AUC0–last (ng·h/mL) AUC0–∞ (ng·h/mL) MRT (h) CL (mL/min/kg) F (%) CCR5 antagonist 2 p.o. 10 49.5 ± 18.6 2.0 ± 0.0 10.3 ± 2.5 229 ± 92 283 ± 105 13.2 ± 4.2 – 15.7 i.v. 2 – – 1.60 ± 0.03 291 ± 75 298 ± 76 1.81 ± 0.04 117 ± 29 Animal Model: SD rats[1] Dosage: 2 mg/kg and 10 mg/kg Administration: Intravenous and oral administration (Pharmacokinetic Analysis) Result: Displayed good PK profiles.
References	[1]. Xie X, et al. Structure-Based Design of Tropane Derivatives as a Novel Series of CCR5 Antagonists with Broad-Spectrum Anti-HIV-1 Activities and Improved Oral Bioavailability. J Med Chem. 2022 Dec 22;65(24):16526-16540.

Molecular Formula	C₃₂H₄₅F₂N₅O₂S
Molecular Weight	601.79