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AB120811

BX 513 hydrochloride, CCR1 antagonist

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MW 445 Da, Purity >99%. Potent and selective CCR1 antagonist (IC50 = 8.4 μM). Ki values are 0.04 nM (CCR1) and >10 nM (CCR5, CXCR2 and CXCR4). Displays inverse agonist activity for US28, a HCMV-encoded receptor. Able to produce concentration-dependent inhibition of MIP-1α and Ca2+ mobilization.
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Chemical Structure - BX 513 hydrochloride, CCR1 antagonist (AB120811)
  • Chemical Structure

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Chemical Structure - BX 513 hydrochloride, CCR1 antagonist (AB120811)

2D chemical structure image of ab120811, BX 513 hydrochloride, CCR1 antagonist

Key facts

Purity

>99%

Form

Solid

form

Molecular weight

445 Da

Molecular formula

C<sub>2</sub><sub>8</sub>H<sub>2</sub><sub>9</sub>ClN<sub>2</sub>O

PubChem

9889700

Nature

Synthetic

Solubility

Soluble in DMSO to 100 mM

Soluble in ethanol to 50 mM

Biochemical name

5-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidyl]-2,2-diphenyl-pentanenitrile

Biological description

Potent and selective CCR1 antagonist (IC50 = 8.4 μM). Ki values are 0.04 nM (CCR1) and >10 nM (CCR5, CXCR2 and CXCR4). Displays inverse agonist activity for US28, a HCMV-encoded receptor. Able to produce concentration-dependent inhibition of MIP-1α and Ca2+ mobilization.

Canonical smiles

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

InChi

InChI=1S/C28H29ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-21H2

InChiKey

MEEJEEVTIVAOJP-UHFFFAOYSA-N

IUPAC Name

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile

Properties and storage information

Shipped at conditions
Ambient - Can Ship with Ice
Appropriate short-term storage conditions
+4°C
Appropriate long-term storage conditions
+4°C
Storage information
Store under desiccating conditions|The product can be stored for up to 12 months

Supplementary information

This supplementary information is collated from multiple sources and compiled automatically.

CCR3 (C-C chemokine receptor type 3) and CCR1 (C-C chemokine receptor type 1) belong to the chemokine receptor family which act as signaling proteins involved in immune responses. The CCR3 receptor has an approximate mass of 41 kDa while CCR1 is around 42 kDa. These receptors are expressed on various immune cells such as eosinophils and basophils. The dopamine D2 receptor also known as DRD2 has a mass of approximately 50 kDa and is expressed mainly in the central nervous system particularly in dopaminergic neurons. All three play significant roles through G-protein coupled receptor (GPCR) mechanisms.
Biological function summary

The CCR3 receptor mediates the migration and activation of inflammatory cells heavily involved in allergic responses. CCR1 also facilitates cell movement and acts in inflammatory processes often working in conjunction with chemokines such as CCL5. The dopamine D2 receptor influences neurotransmission and plays critical roles in modulating physiological functions like locomotion and behavior. While unrelated in function these proteins act through receptor complexes involving second messengers to relay signals inside cells.

Pathways

CCR3 participates in the chemokine signaling pathway integral for directing cell traffic and maintaining tissue homeostasis. It interacts with proteins like CXCR4 in immune regulation. CCR1 also engages in chemokine signaling having significant interactions within inflammatory pathways. The dopamine D2 receptor is a part of dopaminergic signaling pathways and interacts closely with proteins like G-proteins particularly influencing the cyclic AMP production in neurons.

CCR3 and CCR1 connect to conditions like asthma and rheumatoid arthritis where inflammatory mechanisms are prominent. CCR3 is linked with eosinophilic inflammation in asthma. The dopamine D2 receptor is associated with neurological disorders such as schizophrenia and Parkinson's disease where dopaminergic regulation is disrupted. Through shared pathways CCR3 CCR1 and DRD2 align with various other proteins influencing disease progression and treatment strategies.

Product protocols

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