Plerixafor

CAT: 0804-HY-10046-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-10046-05Size:100 mg

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Description

Plerixafor (AMD 3100) is a selective CXCR4 antagonist with an IC50 of 44 nM. Plerixafor, an immunostimulant and a hematopoietic stem cell (HSC) mobilizer, is an allosteric agonist of CXCR7. Plerixafor inhibits HIV-1 and HIV-2 replication with an EC50 of 1-10 nM[1][2][3][4][7].

CAS Number

110078-46-1

Product Name Alternative

AMD 3100; JM3100; SID791

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

CXCR; HIV

Type

Reference compound

Related Pathways

Anti-infection; GPCR/G Protein; Immunology/Inflammation

Applications

COVID-19-anti-virus

Field of Research

Cancer; Infection; Endocrinology; Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/Plerixafor.html

Purity

99.90

Solubility

DMSO : 1.92 mg/mL (ultrasonic; warming; adjust pH to 7 with 1 M HCl; heat to 60°C) |Ethanol : 50 mg/mL (ultrasonic)

Smiles

C1(CN2CCCNCCNCCCNCC2)=CC=C(C=C1)CN3CCNCCCNCCNCCC3

Molecular Formula

C28H54N8

Molecular Weight

502.78

Precautions

H302, H315, H319, H335

References & Citations

[1]Zabel BA, et al. Elucidation of CXCR7-mediated signaling events and inhibition of CXCR4-mediated tumor cell transendothelial migration by CXCR7 ligands. J Immunol. 2009 Sep 1;183 (5) :3204-11.|[2]Mercurio L, et al. Targeting CXCR4 by a selective peptide antagonist modulates tumor microenvironment and microglia reactivity in a human glioblastoma model. J Exp Clin Cancer Res. 2016 Mar 25;35:55.|[3]Yang J, et al. Continuous AMD3100 Treatment Worsens Renal Fibrosis through Regulation of Bone Marrow Derived Pro-Angiogenic Cells Homing and T-Cell-Related Inflammation. PLoS One. 2016 Feb 22;11 (2) :e0149926.|[4]Chu PY, et al. CXCR4 Antagonism Attenuates the Development of Diabetic Cardiac Fibrosis. PLoS One. 2015 Jul 27;10 (7) :e0133616.|[5]De Clercq E, et al. Mozobil® (Plerixafor, AMD3100), 10 years after its approval by the US Food and Drug Administration. Antivir Chem Chemother. 2019 Jan-Dec;27:2040206619829382.|[6]Seki JT, et al. Chemical Stability of Plerixafor after Opening of Single-Use Vial. Can J Hosp Pharm. 2017 Jul-Aug;70 (4) :270-275.|[7]Schols D, et al. HIV co-receptor inhibitors as novel class of anti-HIV drugs. Antiviral Res. 2006 Sep;71 (2-3) :216-26.|[8]Zheng J, et al. Toward Normalization of the Tumor Microenvironment for Cancer Therapy. Integr Cancer Ther. 2019;18:1534735419862352.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Launched

Isoform

CXCR4; CXCR7; HIV-1; HIV-2

Citation 01

Chemical Information

Plerixafor

Plerixafor is an azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma. It has a role as a C-X-C chemokine receptor type 4 antagonist, an antineoplastic agent, an immunological adjuvant and an anti-HIV agent. It is a member of benzenes, a crown amine, an azacycloalkane, a secondary amino compound, a tertiary amino compound and an azamacrocycle. It is functionally related to a 1,4,8,11-tetraazacyclotetradecane.

CAS Number	110078-46-1
PubChem CID	65015
IUPAC Name	1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
Molecular Formula	C28H54N8
Molecular Weight	502.8
XLogP	0
Topological Polar Surface Area	78.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	36
Formal Charge	0
Complexity	456

SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3

InChI

InChI=1S/C28H54N8/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

InChIKey

YIQPUIGJQJDJOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110078-46-1

CID: 65015

Formula: C28H54N8

MW: 502.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	502.8
XLogP3	0
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	502.44714376
Monoisotopic Mass	502.44714376
Topological Polar Surface Area	78.7 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	456
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-P580500-50MG	Plerixafor
A2025-100	Plerixafor (AMD3100)
MBS385227-01	AMD3100 (Plerixafor)

Plerixafor

Chemical Information

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