| Identification | Back Directory | [Name]
CarbaMiMidothioic acid, N,N'-dicyclohexyl-, (5,6-dihydro-6,6-diMethyliMidazo[2,1-b]thiazol-3-yl)Methyl ester, hydrochloride (1:2) | [CAS]
1092776-63-0 | [Synonyms]
IT1t dihydrochloride
N,N'-Dicyclohexylcarbamimidothioic acid (5,6-dihydro-6,6-dimethylimidazo[2,1-b]thiazol-3-yl)methyl ester dihydrochloride
CarbaMiMidothioic acid, N,N'-dicyclohexyl-, (5,6-dihydro-6,6-diMethyliMidazo[2,1-b]thiazol-3-yl)Methyl ester, hydrochloride (1
CarbaMiMidothioic acid, N,N'-dicyclohexyl-, (5,6-dihydro-6,6-diMethyliMidazo[2,1-b]thiazol-3-yl)Methyl ester, hydrochloride (1:2) | [Molecular Formula]
C21H36Cl2N4S2 | [MOL File]
1092776-63-0.mol | [Molecular Weight]
479.573 |
| Chemical Properties | Back Directory | [Melting point ]
>187° (dec.) | [storage temp. ]
Hygroscopic, -20°C Freezer, Under inert atmosphere | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [color ]
White |
| Hazard Information | Back Directory | [Description]
IT1t is a chemokine (C-X-C motif) receptor 4 (CXCR4) antagonist (IC50s = 8 and 11 nM for the human and rat receptors, respectively). It is selective for CXCR4 over human ether-a-go-go-related gene potassium channels (hERG/Kv11.1; IC50 = 13,240 nM). IT1t inhibits calcium mobilization induced by chemokine (C-X-C-motif) ligand 12 (CXCL12) in CEM cells (IC50 = 1.1 nM) and decreases CXCL12-induced migration of Jurkat cells (IC50 = 79.1 nM). It inhibits replication of the HIV-1 strain NL4-3 in MT-4 cells and isolated human peripheral blood mononuclear cells (PBMCs) stimulated with phytohemagglutinin (PHA; IC50s = 14.2 and 19 nM, respectively). IT1t (20 μM) reduces tumor growth in an MDA-MB-231-B zebrafish xenograft model. | [Uses]
N,N''-Dicyclohexylcarbamimidothioic acid (5,6-dihydro-6,6-dimethylimidazo[2,1-b]thiazol-3-yl)methyl Ester Dihydrochloride is a potent CXCR4 antagonist. It also exhibits anti-viral activity against HIV. | [in vivo]
IT1t reduces the formation of TNBC early metastases in the zebrafish xenograft model. Tumor cell invasion at the metastatic site is effectively reduced upon CXCR4 silencing (Fig. 7B), similar to the antagonist IT1t [3]. | [IC 50]
CXCL12/CXCR4: 2.1 nM (IC50); HIV-1 (X4): 14.2 nM (IC50, in MT-4 cells); HIV-1 (X4): 19 nM (IC50, in PBMCs) | [storage]
Store at +4°C | [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. |
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