Synonym
BMS-741672; BMS 741672; BMS741672;
IUPAC/Chemical Name
N-((1R,2S,5R)-5-(Isopropyl(methyl)amino)-2-((S)-2-oxo-3-((6-(trifluoromethyl)quinazolin-4-yl)amino)pyrrolidin-1-yl)cyclohexyl)acetamide
InChi Key
GVOISEJVFFIGQE-YCZSINBZSA-N
InChi Code
InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1
SMILES Code
CC(N[C@H]1[C@@H](N2C([C@@H](NC3=C4C=C(C(F)(F)F)C=CC4=NC=N3)CC2)=O)CC[C@@H](N(C(C)C)C)C1)=O
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
CCR2 is a G protein-coupled receptor that plays a central role in the biology of classical “inflammatory” monocytes, mediating their emigration from the bone marrow and extravasation into inflamed tissues, wherein they differentiate into either monocyte-derived macrophages or monocytederived dendritic cells.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
506.57
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672
Michael G. Yang, Zili Xiao, Robert J. Cherney, Andrew J. Tebben, Douglas G. Batt, Gregory D. Brown, Jing Chen, Mary Ellen Cvijic, Marta Dabros, John V. Duncia, Michael Galella, Daniel S. Gardner, Purnima Khandelwal, Soo S. Ko, Mary F. Malley, Ruowei Mo, Jian Pang, Anne V. Rose, Joseph B. Santella III, Hong Shi, Anurag Srivastava, Sarah C. Traeger, Bei Wang, Songmei Xu, Rulin Zhao, Joel C. Barrish, Sandhya Mandlekar, Qihong Zhao, and Percy H. Carter
Publication Date (Web): January 16, 2019 (Letter)
DOI: 10.1021/acsmedchemlett.8b00439
