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155148-31-5 (Plerixafor (octahydrochloride))

1

Identification

Plerixafor (octahydrochloride) Plerixafor (octahydrochloride)
Name Plerixafor (octahydrochloride)
Formula C28H62Cl8N8
MW 794.47
CAS No. 155148-31-5
EINECS
Smiles N1(CCCNCCNCCCNCC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl
Synonyms 1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]; AMD 3100; 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene octahydrochloride
InChI InChI=1S/C28H54N8.8ClH/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;;;;;;;/h5-8,29-34H,1-4,9-26H2;8*1H
2

Introduction

Plerixafor octahydrochloride(AMD3100 8HCL) is a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM, respectively. IC50 value: 44 nM (CXCR4); 5.7 nM (CXCL12-mediated chemotaxis) Target: CXCR4 in vitro: Plerixafor inhibits CXCL12-mediated chemotaxis with a potency lightly better than its affinity for CXCR4.

Background Information

Plerixafor is an immunostimulant used to multiply hematopoietic stem cells and it is a chemokine receptor-4 antagonist for mobilization of hematopoietic stem cells for transplantation. ......by AdooQ BioScience, LLC
Highly selective CXCR4 chemokine receptor antagonist (IC50 values are 0.02 - 0.13 and > 25 μM for CXCR4 and all other chemokine receptors respectively) ......by BOC Sciences
Plerixafor octahydrochloride is a selective CXCR4 antagonist with IC50 of 44 nM. ......by MedChemexpress Co., Ltd.
Plerixafor, also known as AMD3100, is a bicyclam with hematopoietic stem cell-mobilizing activity. Plerixafor blocks the binding of stromal cell-derived factor (SDF-1alpha) to the cellular receptor CXCR4, resulting in hematopoietic stem cell (HSC) release from bone marrow and HSC movement into the peripheral circulation. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus). Plerixafor was approved by the U.S. Food and Drug Administration for this indication on December 15, 2008. In Europe, the drug was approved on 29 May 2009. ......by MedKoo Biosciences, Inc.
Plerixafor octahydrochloride (JM-3100, AMD-3100, SID-791) is a potent, selective CXCR4 inhibitor (IC50=44 nM) that inhibits the replication of various HIV-1 and HIV-2 strains in various cell lines with EC50 of 10ng/ml; can produce mesenchymal stem cells and endothelial progenitor cells in mice in combination with VEGF; also is an allosteric agonist of CXCR7.Multiple SclerosisPreclinical ......by ProbeChem
Plerixafor 8HCl (AMD3100 8HCl) is the hydrochloride of Plerixafor, a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM in cell-free assays, respectively. ......by Selleck Chemicals LLC
Plerixafor is a bicyclam with hematopoietic stem cell-mobilizing activity. Plerixafor blocks the binding of stromal cell-derived factor (SDF-1alpha) to the cellular receptor CXCR4, resulting in hematopoietic stem cell (HSC) release from bone marrow and HSC movement into the peripheral circulation. ......by Target Molecule Corp.
Highly selective CXCR4 chemokine receptor antagonist (IC50 values are 0.02 - 0.13 and > 25 μM for CXCR4 and all other chemokine receptors respectively). Switches inflammatory responses from Th2 to Th1 type and reduces airway hyperresponsiveness in a mouse model of asthma. Potently inhibits HIV-1 and HIV-2 replication in vitro (EC50 = 4 - 35 nM) and mobilizes hematopoietic stem cells in vivo. Attenuates cocaine place preference and locomotor stimulation in rats. Attenuates microglial activation neurological function after ischemic stroke in mice. ......by Tocris Bioscience Inc.
3

Protocol(Only for Reference)

Cell Experiment

Animal Experiment

Animal Models Twelve-week-old C57BL/6 mice with segmental bone defect
Dosage 5 mg/kg
Formulation PBS
Administration Administered via i.p.
Source Selleck Chemicals LLC
4

Physical and Chemical Properties

Appearance:White to off-white Solid EBNumber:EB000028845

Storage condition

Desiccate at -20°C by Tocris Bioscience Inc.

Solubility

DMSO <1 mg/mL Water 100 mg/mL Ethanol <1 mg/mL by MedChemexpress Co., Ltd.
(25°C) * In vitro Water 100 mg/mL (125.87 mM); DMSO<1 mg/mL (<1 mM); Ethanol<1 mg/mL (<1 mM); In vivo Saline30 mg/mL by Selleck Chemicals LLC
Soluble to 100 mM in water by Tocris Bioscience Inc.
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Mechanism and Indication

Signaling Pathways Immunology/Inflammation GPCR/G Protein
Target CXCR
Research Area Inflammation/Immunology
Indications
6

Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
Plerixafor (octahydrochloride) - No Development Reported
Plerixafor (octahydrochloride) - Launched
7

Safety Data of Plerixafor (octahydrochloride)

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Spectral Information

9

Suppliers List

Company Price and Availability Country/Region
AdooQ BioScience, LLC USA
Apexbio Technology LLC USA
Ark Pharm, Inc. USA
BOC Sciences
Biochempartner Co., Ltd China
CHEMSCENE, LLC 10mg/USD76();50mg/USD199() USA
China Jintai Biocompound Company China
MedChemexpress Co., Ltd. 10mg/USD76();50mg/USD199() USA
MedKoo Biosciences, Inc. USA
ProbeChem
Selleck Chemicals LLC 5mg/USD70(In stock);10mg/USD90(In stock);50mg/USD270(In stock) USA
Shanghai Haoyuan Chemexpress Co., Ltd. 10mg/USD76();50mg/USD199() China
Taizhou Crene Biotechnology Co., Ltd. China
Target Molecule Corp. 10mg/USD98();25mg/USD156();50mg/USD268() USA
Tocris Bioscience Inc. USA
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Related Products

Other Forms of 155148-31-5

Name CAS No Formula MW
Plerixafor 110078-46-1 C28H54N8 502.78

Recommended Compounds in CXCR

Name CAS No Formula MW
AMD 3465 185991-24-6 C24H38N6 410.6
AMD 3465 185991-24-6 C24H38N6 410.5987
AZD8797 911715-90-7 C19H25N5OS2 403.5647
Baohuoside I 113558-15-9 C27H30O10 514.52
AMD-070 hydrochloride C21H30Cl3N5 458.86
WZ811 55778-02-4 C18H18N4 290.36
SRT3109 1204707-71-0 C18H23F2N5O4S2 475.53
UNBS5162 956590-23-1 C17H18N4O3 326.3498
NBI-74330 855527-92-3 C32H27F4N5O3 605.58
AMG 487 473719-41-4 C32H28F3N5O4 603.59
Reparixin (L-lysine salt) 266359-93-7 C20H35N3O5S 429.57
Reparixin 266359-83-5 C14H21NO3S 283.39
SCH 546738 906805-42-3 C23H31Cl2N7O 492.44
SCH 563705 473728-58-4 C23H27N3O5 425.48
SCH 527123 473727-83-2 C21H23N3O5 397.42
Plerixafor 110078-46-1 C28H54N8 502.78
AMD-070 558447-26-0 C21H27N5 349.47
SRT3190 1204707-73-2 C18H23F2N5O4S2 475.53
Nicotinamide N-oxide 1986-81-8 C6H6N2O2 138.12404
AZD-5069 878385-84-3 C18H22F2N4O5S2 476.52

Recommended Compounds in Same Indication

Name CAS No Formula MW
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Route of Synthesis

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References

[1]. Smith, M. C. P. (2004). CXCR4 regulates growth of both primary and metastatic breast cancer. Cancer Research 64 (23): 8604-8612.

[2]. Uchida D, Onoue T, Kuribayashi N, Tomizuka Y, Tamatani T, Nagai H, Miyamoto Y.Blockade of CXCR4 in oral squamous cell carcinoma inhibits lymph node metastases.Eur J Cancer. 2011 Feb;47(3):452-9. Epub 2010 Oct 19.

[3]. Singh VK, Brown DS, Kao TC.Alpha-tocopherol succinate protects mice from gamma-radiation by induction of granulocyte-colony stimulating factor.Int J Radiat Biol. 2010 Jan;86(1):12-21.

[4]. Benamar K, Geller EB, Adler MW.First in vivo evidence for a functional interaction between chemokine and cannabinoid systems in the brain.J Pharmacol Exp Ther. 2008 May;325(2):641-5. Epub 2008 Feb 15.

[5]. De Clercq E.Inhibition of HIV infection by bicyclams, highly potent and specific CXCR4 antagonists.Mol Pharmacol. 2000 May;57(5):833-9.

Protocol Reference

Bridger et al (1995) Synthesis and structure-activity relationships of phenylenebis(methylene)-linked bis-tetraazamacrocycles that inhibits HIV replication. Effects of macrocyclic ring size and substituents on the aromatic linker. J.Med.Chem. 38 366. PMID: 7830280.

Hatse et al (2002) Chemokine receptor inhibition by AMD3100 is strictly confined to CXCR4. FEBS Letts. 527 255.

Hogaboam et al (2005) The therapeutic potential in targeting CCR5 and CXCR4 receptors in infectious and allergic pulmonary disease. Pharmacol.Ther. 107 314. PMID: 16009428.

Paganessi......by Tocris Bioscience Inc.

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More Information

Plerixafor (octahydrochloride)

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