IT1t

Cat. No.: HY-101458: Ficha de datos Instrucciones de manejo
FAQs
Technical Support

IT1t is a potent CXCR4 antagonist; inhibits CXCL12/CXCR4 interaction with an IC₅₀ of 2.1 nM.

The free form of the compound is prone to instability, it is advisable to consider the stable salt form (IT1t dihydrochloride) that retains the same biological activity.

Para uso exclusivo en investigación. No vendemos a pacientes.

IT1t Estructura química

No. CAS : 864677-55-4

Tamaño		Stock
MOQ		Minimum order quantity
50 mg		Obtener un presupuesto
100 mg		Obtener un presupuesto
250 mg		Obtener un presupuesto
Other size		Obtener un presupuesto

* Seleccione Cantidad antes de agregar artículos.

This product is a controlled substance and not for sale in your territory.

Other In-stock Forms of IT1t:

IT1t dihydrochloride

Other Forms of IT1t:

IT1t dihydrochloride In-stock

5 Publications Citing Use of MCE IT1t

Recomendaciones destacadas

•Related Small Molecules:

•Related Proteins:

Ver todos los productos específicos de isoformas CXCR:

Ver todas las isoformas

CXCR CXCR1 CXCR2 CXCR3 CXCR4 CXCR7 CXCR6

Ver todos los productos específicos de isoformas HIV:

Ver todas las isoformas

HIV HIV-1 HIV-2

Actividad biológica
Protocolo
Pureza y Documentación
Referencias
Revisión del cliente

Descripciòn

IT1t is a potent CXCR4 antagonist; inhibits CXCL12/CXCR4 interaction with an IC₅₀ of 2.1 nM.

IC₅₀ & Target^[1]

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)

Cellular Effect

Cell Line	Type	Value	Description	References
CCRF-CEM	IC₅₀	1.1 nM Compound: 1t	Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization	[PMID: 19053768]
CCRF-CEM	IC₅₀	8 nM Compound: 1t	Displacement of [125I]CXCL12 from CXCR4 in human CEM cells Displacement of [125I]CXCL12 from CXCR4 in human CEM cells	[PMID: 19053768]
CHO-K1	IC₅₀	>20000 nM Compound: 1t	Inhibition of human recombinant ERG in CHOK1 cells Inhibition of human recombinant ERG in CHOK1 cells	[PMID: 19053768]
CHO-K1	IC₅₀	>20 μM Compound: 1t	Inhibition of human recombinant ERG in CHOK1 cells Inhibition of human recombinant ERG in CHOK1 cells	[PMID: 19053768]
HEK293	IC₅₀	0.223 μM Compound: 1; IT1t	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and me Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and me	[PMID: 30655949]
HEK293	IC₅₀	0.326 μM Compound: 1; IT1t	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after	[PMID: 30655949]
HEK293	IC₅₀	0.43 μM Compound: 1; IT1t	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and me Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and me	[PMID: 30655949]
HEK293	IC₅₀	0.967 μM Compound: 1; IT1t	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 E288A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and me Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 E288A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and me	[PMID: 30655949]
HEK293	IC₅₀	13240 nM Compound: 1t	Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells	[PMID: 19053768]
HEK293	IC₅₀	18.9 μM Compound: 1; IT1t	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and mea Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and mea	[PMID: 30655949]
HEK293	IC₅₀	6.37 μM Compound: 1; IT1t	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 W94A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and mea Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 W94A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and mea	[PMID: 30655949]
HEK293	IC₅₀	7.19 μM Compound: 1; IT1t	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and me Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and me	[PMID: 30655949]

In Vitro

The CXCR4 is involved in chemotaxis and serves as a coreceptor for T-tropic HIV-1 viral entry and in cancer metastasis. IT1t is a small, drug-like, isothiourea derivative. IT1t shows very potent and dose-dependent inhibition of the CXCL12/CXCR4 interaction with an IC₅₀ of 2.1 nM. This calcium flux is also inhibited by IT1t with an IC₅₀ of 23.1^[1]. Strong electron density is observed for IT1t in the binding cavity of both subunits of the CXCR4 homodimer. In dimers of CXCR4 bound to IT1t, the monomers interact only at the extracellular side of helices V and VI, leaving at least a 4 gap between the intracellular regions, which is presumably filled by lipids. The IT1t compound and CVX15 peptide have both been characterized as competitive inhibitors of CXCL12, and many of the receptor-ligand contacts in the co-crystal structures presented are important for CXCL12 binding, including the acidic Asp187, Glu2887.39 and Asp972.63. The binding site of IT1t may point to the major anchor region for this domain^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Peso molecular

406.65

Fòrmula

C₂₁H₃₄N₄S₂

No. CAS

864677-55-4

SMILES

CC1(C)CN2C(CS/C(NC3CCCCC3)=N\C4CCCCC4)=CSC2=N1

Envío

Room temperature in continental US; may vary elsewhere.

Almacenamiento

Please store the product under the recommended conditions in the Certificate of Analysis.

Pureza y Documentación

Instrucciones de manejo (2659 KB)

Referencias

[1]. Van Hout A, et al. Comparison of cell-based assays for the identification and evaluation of competitive CXCR4 inhibitors. PLoS One. 2017 Apr 14;12(4):e0176057. [Content Brief]

[2]. Wu B, et al. Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science. 2010 Nov 19;330(6007):1066-71. [Content Brief]

[3]. Tulotta C, et al. Inhibition of signaling between human CXCR4 and zebrafish ligands by the small molecule IT1timpairs the formation of triple-negative breast cancer early metastases in a zebrafish xenograft model. Dis Model Mech. 2016 Feb;9(2):141-53. [Content Brief]

Ensayo celular
^[1]

Jurkat cells are incubated with serial dilutions (0.001, 0.01, 0.1, 1, 10, 100, 1000 μM) of IT1t at room temperature for two hours. Cytotoxicity of IT1t is also evaluated at 37°C over a longer period of time in MT-4 cells and PHA-stimulated PBMCs (ten day incubation) because these cell types are used in anti-HIV activity assays which last up to ten days. Cytotoxicity is evaluated microscopically and viability is assessed using the a kit^[1].

MCE no ha confirmado la precisión de estos métodos independientemente. Son solo para referencia.

Referencias

[1]. Van Hout A, et al. Comparison of cell-based assays for the identification and evaluation of competitive CXCR4 inhibitors. PLoS One. 2017 Apr 14;12(4):e0176057. [Content Brief]

[2]. Wu B, et al. Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science. 2010 Nov 19;330(6007):1066-71. [Content Brief]

[3]. Tulotta C, et al. Inhibition of signaling between human CXCR4 and zebrafish ligands by the small molecule IT1timpairs the formation of triple-negative breast cancer early metastases in a zebrafish xenograft model. Dis Model Mech. 2016 Feb;9(2):141-53. [Content Brief]

IT1t Related Classifications

Inflammation/Immunology Endocrinology

Calculadora de molaridad
Calculadora de dilución

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass		Concentration		Volume		Molecular Weight *
	=		×		×

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)	×	Volume _(start)	=	Concentration _(final)	×	Volume _(final)
	×		=		×
C1		V1		C2		V2

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

IT1t864677-55-4CXCRHIVCXC chemokine receptorsC-X-C motif chemokine receptorsHuman immunodeficiency virusInhibitorinhibitorinhibit

Productos vistos recientemente:

Nombre del producto

Requested Quantity *

Nombre del solicitante *

Saludo

Direcciòn del E-mail *

Número de teléfono *

Department

Nombre de la Organizaciòn *

City

Provincia

Country or Region *

Observaciones

Nombre del producto

Lot #

Nombre del solicitante *

Direcciòn del E-mail *

Número de teléfono

Department *

Nombre de la Organizaciòn *

Country or Region *

Observaciones

Name
E-mail *

	Sorry, but the email address you supplied was invalid.

IT1t

Other Forms of IT1t:

IT1t Related Antibodies

5 Publications Citing Use of MCE IT1t

Recomendaciones destacadas

•Related Small Molecules:

•Related Proteins:

Ver todos los productos específicos de isoformas CXCR:

Ver todos los productos específicos de isoformas HIV:

Actividad biológica

Protocolo

Pureza y Documentación

Referencias

Revisión del cliente

IT1t Related Antibodies

IT1t Related Classifications

Calculadora de molaridad

Calculadora de dilución

The molarity calculator equation

The dilution calculator equation

Keywords:

Productos vistos recientemente:

Revisión del cliente

Request for HNMR Report

SAFETY DATA SHEET (SDS)

Request for HNMR Report