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.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Frequently Asked Questions
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