BMS-681

• Description :

  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].

• 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.

• Shipping Conditions :

  Room temperature

• Scientific Category :

  Reference compound1

• Clinical Information :

  No Development Reported

• CAS Number :

  [847998-92-9]