BMS-681

BMS-681 is an orthosteric antagonist of CC chemokine receptor 2 (CCR2) . BMS-681 restricts the movement of the extracellular end of TM6 by stabilizing TM7. TM7 and TM6 are the main components of the orthosteric binding site. BMS-681 can be used to study inflammatory neurodegenerative diseases and cancer[1].

Product Specifications

CAS Number

[847998-92-9]

UNSPSC

12352005

Target

CCR

Related Pathways

GPCR/G Protein; Immunology/Inflammation

Applications

COVID-19-immunoregulation

Field of Research

Cancer; Inflammation/Immunology; Neurological Disease

Smiles

O=C1N([C@@H]2[C@H](CCC)C[C@H](N(C)C(C)C)CC2)CC[C@@H]1NC3=C4C=C(C(F)(F)F)C=CC4=NC=N3

Molecular Formula

C26H36F3N5O

Molecular Weight

491.59

References & Citations

[1]An X, et al. Revealing the positive binding cooperativity mechanism between the orthosteric and the allosteric antagonists of CCR2 by metadynamics and Gaussian accelerated molecular dynamics simulations[J]. ACS chemical neuroscience, 2020, 11 (4) : 628-637.