MSX-122 - 10mM in DMSO , C-X-C chemokine receptor type 4 antagonist, CAS No.897657-95-3, C-X-C chemokine receptor type 4 antagonist

CAS: 897657-95-3 Cat. No.: M426733 Formule: C₁₆H₁₆N₆ Poids moléculaire: 292.34

GRADE & PURITY 10mM in DMSO

Synonyms

Q27264343 | XKB65795 | UNII-69D634Q702 | BDBM194510 | DB12715 | N,N'-(1,4-phenylenebis(methylene))bis(pyrimidin-2-amine) | FT-0699836 | AKOS030526974 | A861074 | EX-A784 | 69D634Q702 | BCP16282 | MSX 122 [WHO-DD] | MS-24180 | SB19805 | MSX 122 | MSX122 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

MSX-122 is a novel small molecule and partialCXCR4antagonist (IC50~10 nM).

Targets

CXCR4 ~10 nM

In vitro

MSX-122 is also incapable of blocking the binding of 125I-labeled CXCL12 to CXCR4. MSX-122 appears to be insufficiently large to block all binding sites between CXCR4 and CXCL12. MSX-122 blocks certain CXCR4 functions via binding to the CXCL12-binding site and interfering with CXCR4/CXCL12-mediated signaling. MSX-122 can intervene in the Gαi-signaling pathway (cAMP modulation), but not the Gq-pathway (calcium flux).

In vivo

MSX-122 blocks bleomycin-induced lung fibrosis involving chemotaxis and homing of CXCR4-positive mesenchymal progenitor cells into the lungs. MSX-122 exhibits anti-inflammatory activity in a carrageenan-induced paw edema model. MSX-122 blocks lung metastasis of breast cancer and SCCHN, and liver metastasis of uveal melanoma in vivo.

Cell Research(from reference)

Cell lines：MDA-MB-231 cells 

Concentrations：1, 10, 100, and 1000 nM 

Incubation Time：15 mins 

Specifications

Synonymes

Q27264343 | XKB65795 | UNII-69D634Q702 | BDBM194510 | DB12715 | N,N'-(1,4-phenylenebis(methylene))bis(pyrimidin-2-amine) | FT-0699836 | AKOS030526974 | A861074 | EX-A784 | 69D634Q702 | BCP16282 | MSX 122 [WHO-DD] | MS-24180 | SB19805 | MSX 122 | MSX122 |

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

MSX-122 is a novel small molecule and partial CXCR4 antagonist (IC50~10 nM).

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ANTAGONIST

Mécanisme d'action

C-X-C chemokine receptor type 4 antagonist

Propriétés du produit

• ALogP: 2.1

Noms et identifiants

• Pubchem Sid: 528765576
• Sourires canoniques: C1=CN=C(N=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3
• IUPAC Name: N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine
• 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)
• Isomères SMILES: C1=CN=C(N=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3
• Poids moléculaire: 292.34
• Reaxy-Rn: 11289117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11289117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylamines
• Alternative Parents: Aminopyrimidines and derivatives Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylamines. These are organic compounds containing benzylamine, which consists of a benzene group attached to an amine group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

CXCR4 Tclin C-X-C chemokine receptor type 4 (3338 Activities)

Discover Target: CXCR4

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HEK293 (82097 Activities)

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Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 292.340 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 292.144 Da
• Monoisotopic Mass: 292.144 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 263.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1