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870998-13-3

870998-13-3 Structure

870998-13-3 Structure
IdentificationBack Directory
[Name]

CXCR3 Antagonist 6c
[CAS]

870998-13-3
[Synonyms]

CXCR3 Antagonist 6c
CXCR3 Antagonist 6c,CXCR-3 Antagonist 6c
1H-1,4-Diazepine-1-carboxamide, 4-[2-[(3-chlorobenzoyl)amino]-4-[[[2-(2,4-dichlorophenyl)ethyl]amino]carbonyl]phenyl]-N-ethylhexahydro-
[Molecular Formula]

C30H32Cl3N5O3
[MDL Number]

MFCD22123246
[MOL File]

870998-13-3.mol
[Molecular Weight]

616.97
Chemical PropertiesBack Directory
[Boiling point ]

768.6±60.0 °C(Predicted)
[density ]

1.343±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: >100mM
[form ]

A crystalline solid
[pka]

12.42±0.70(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

CXCR3 antagonist 1 (compound 6c) is a selective and non-cytotoxic CXCR3 antagonist (IC50=0.06 μM). CXCR3 antagonist 1 has potential in researching inflammatory diseases (including inflammatory bowel disease, multiple sclerosis, rheumatoid arthritis, and diabetes)[1].
[IC 50]

CXCR3: 0.06 μM (IC50)
[References]

[1] Cole A G, et al. Identification and initial evaluation of 4-N-aryl-[1, 4] diazepane ureas as potent CXCR3 antagonists. Bioorganic Med. Chem Lett. 2006 Jan;16(1):200-203.
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