BURIXAFOR HYDROBROMIDE HYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H51N8O3P.3BrH.3H2O
Molecular Weight	863.501
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BURIXAFOR HYDROBROMIDE HYDRATE

Structure Search

SMILES

O.O.O.Br.Br.Br.NC1=CC(=NC(NC[C@H]2CC[C@H](CNCCCNC3CCCCC3)CC2)=N1)N4CCN(CCP(O)(O)=O)CC4

InChI

InChIKey=VXFATXVZERUULG-YCGNAKKISA-N

InChI=1S/C27H51N8O3P.3BrH.3H2O/c28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24;;;;;;/h19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33);3*1H;3*1H2/t22-,23-;;;;;;

HIDE SMILES / InChI

Molecular Formula	C27H51N8O3P
Molecular Weight	566.7194
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/30095739 | https://www.ncbi.nlm.nih.gov/pubmed/29631102

Burixafor is an orally bioavailable inhibitor of CXC chemokine receptor 4 (CXCR4) with receptor binding and hematopoietic stem cell-mobilization activities. Burixafor binds to the chemokine receptor CXCR4, thereby preventing the binding of stromal derived factor-1 (SDF-1 or CXCL12) to the CXCR4 receptor and subsequent receptor activation; this may induce the mobilization of hematopoietic stem and progenitor cells from the bone marrow into the blood. CXC motif chemokine receptor 4 (CXCR4) blockade is pursued as an alternative to mesenchymal stem cell treatment after heart transplantation. The augmentation of conventional mycophenolate mofetil plus corticosteroids with a CXCR4 antagonist is potentially effective in improving outcomes after heart transplantation in humans

Originator

Approval Year

PubMed

Title	Date	PubMed
CXCR4 Antagonist Reduced the Incidence of Acute Rejection and Controlled Cardiac Allograft Vasculopathy in a Swine Heart Transplant Model Receiving a Mycophenolate-based Immunosuppressive Regimen.	2018 Dec	30095739

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:20:41 GMT 2023` Edited by `admin` on `Fri Dec 15 21:20:41 GMT 2023`
Record UNII	E5X126RWIU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BURIXAFOR HYDROBROMIDE HYDRATE

Common Name

English

Code System Code Type Description

FDA UNII

E5X126RWIU

Created by admin on Fri Dec 15 21:20:41 GMT 2023 , Edited by admin on Fri Dec 15 21:20:41 GMT 2023

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Related Record Type Details


					2G17Y0Q20G

BURIXAFOR

PARENT -> SALT/SOLVATE

Amount: