Synonym
Teijin Compound 1 HCl
IUPAC/Chemical Name
(R)-N-(2-((1-(4-chlorobenzyl)pyrrolidin-3-yl)amino)-2-oxoethyl)-3-(trifluoromethyl)benzamide hydrochloride
InChi Key
PGUQBBISBKGQDC-GMUIIQOCSA-N
InChi Code
InChI=1S/C21H21ClF3N3O2.ClH/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25;/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29);1H/t18-;/m1./s1
SMILES Code
O=C(CNC(C1=CC(C(F)(F)F)=CC=C1)=O)N[C@@H]2CCN(CC3=CC=C(Cl)C=C3)C2.Cl
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
476.32
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 |
1: Moree, W.J., Kataoka, K.-i., Ramirez-Weinhouse, M.M., et al. Small molecule antagonists of the CCR2b receptor. Part 2: Discovery process and initial structure-activity relationships of diamine derivatives. Bioorg. Med. Chem. Lett. 14(21), 5413-5416 (2004).
2: Hall, S.E., Mao, A., Nicolaidou, V., et al. Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5. Mol. Pharmacol. 75(6), 1325-1336 (2009).
3: Calin M, Stan D, Schlesinger M, Simion V, Deleanu M, Constantinescu CA, Gan AM, Pirvulescu MM, Butoi E, Manduteanu I, Bota M, Enachescu M, Borsig L, Bendas G, Simionescu M. VCAM-1 directed target-sensitive liposomes carrying CCR2 antagonists bind to activated endothelium and reduce adhesion and transmigration of monocytes. Eur J Pharm Biopharm. 2015 Jan;89:18-29. doi: 10.1016/j.ejpb.2014.11.016. Epub 2014 Nov 28. PMID: 25438248.
4: Roblek M, Calin M, Schlesinger M, Stan D, Zeisig R, Simionescu M, Bendas G, Borsig L. Targeted delivery of CCR2 antagonist to activated pulmonary endothelium prevents metastasis. J Control Release. 2015 Dec 28;220(Pt A):341-347. doi: 10.1016/j.jconrel.2015.10.055. Epub 2015 Oct 30. PMID: 26522070; PMCID: PMC6322646.
