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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16N6
Molecular Weight 292.3384
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MSX-122

SMILES

C(NC1=NC=CC=N1)C2=CC=C(CNC3=NC=CC=N3)C=C2

InChI

InChIKey=PXZXYRKDDXKDTK-UHFFFAOYSA-N
InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)

HIDE SMILES / InChI

Molecular Formula C16H16N6
Molecular Weight 292.3384
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

MSX-122 is an orally available small molecule partial antagonist of C-X-C chemokine 4 patented by Emory University for treating or reducing the severity of hyperproliferative diseases by inhibiting metastasis. In preclinical studies, MSX-122 prevents the production of TNF-α, IL-1β, and IL-6. MSX-122 also reduces TNF-α secretion by macrophages infected with patient-derived invasive E. coli. It decreases metastases in mouse models utilizing MDA-MB-231 breast cancer or 686LN-Ms squamous cell carcinoma cells injected intravenously or OMM2.3 melanoma cells inoculated into the eye. Unfortunately, MSX-122 have failed in clinical trials due to unmanageable toxicities

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibition of the CXCL12/CXCR4-axis as preventive therapy for radiation-induced pulmonary fibrosis.
2013
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:07:28 GMT 2023
Edited
by admin
on Sat Dec 16 02:07:28 GMT 2023
Record UNII
69D634Q702
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MSX-122
Common Name English
MSX 122 [WHO-DD]
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL3545330
Created by admin on Sat Dec 16 02:07:28 GMT 2023 , Edited by admin on Sat Dec 16 02:07:28 GMT 2023
PRIMARY
CAS
897657-95-3
Created by admin on Sat Dec 16 02:07:28 GMT 2023 , Edited by admin on Sat Dec 16 02:07:28 GMT 2023
PRIMARY
DRUG BANK
DB12715
Created by admin on Sat Dec 16 02:07:28 GMT 2023 , Edited by admin on Sat Dec 16 02:07:28 GMT 2023
PRIMARY
PUBCHEM
11687907
Created by admin on Sat Dec 16 02:07:28 GMT 2023 , Edited by admin on Sat Dec 16 02:07:28 GMT 2023
PRIMARY
FDA UNII
69D634Q702
Created by admin on Sat Dec 16 02:07:28 GMT 2023 , Edited by admin on Sat Dec 16 02:07:28 GMT 2023
PRIMARY
NCI_THESAURUS
C74022
Created by admin on Sat Dec 16 02:07:28 GMT 2023 , Edited by admin on Sat Dec 16 02:07:28 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY