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IT1t dihydrochloride

 
Catalog No.
B5650
CXCR4 antagonist, potent
组合的产品项目
规格价格库存 数量
10mM (in 1mL DMSO)
¥ 1,020.00
现货
5mg
¥ 927.00
现货
10mg
¥ 1,636.00
现货
25mg
¥ 3,272.00
现货
50mg
¥ 5,890.00
现货
100mg
¥ 10,254.00
Ship with 10-15 days

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A

背景

IT1t dihydrochloride is a potent antagonist of CXCR4 with IC50 value of 8.0 nM [1].

C-X-C chemokine receptor type 4 (CXCR4) is an α-chemokine receptor for chemokine CXCL12. CXCR4 functions as a coreceptor for human immunodeficiency virus (HIV) envelope protein gp-120 and mediates infection of T-cells by HIV [1].

IT1t dihydrochloride is a potent CXCR4 antagonist. In binding assays, IT1t exhibited IC50 values of 8.0 and 11.0 nM for human and rat CXCR4, respectively. In Ca2+ mobilization assays, IT1t exhibited IC50 value of 1.1 nM. In the HIV attachment assay, IT1t inhibited HIV attachment with IC50 and IC90 values of 7 and 100 nM, respectively and inhibited both CXCR4/CXCL12 and CXCR4/gp120 interactions. IT1t exhibited 32% oral bioavailability.

References:
[1].  Thoma G, Streiff MB, Kovarik J, et al. Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo. J Med Chem, 2008, 51(24): 7915-7920.

化学属性

Physical AppearanceOff-white solid
StorageStore at -20°C
M.Wt479.57
Cas No.1092776-63-0
FormulaC21H34N4S2·2HCl
Solubility≥8.8 mg/mL in DMSO with ultrasonic; ≥50.6 mg/mL in EtOH; ≥50 mg/mL in H2O
Chemical Name(E)-(6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate dihydrochloride
SDFDownload SDF
Canonical SMILESCC1(CN2C(CS/C(NC3CCCCC3)=N/C4CCCCC4)=CSC2=N1)C.Cl.Cl
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