Synonym
BMS-639623; BMS639623; BMS 639623; UNII-PON9OFP69G; CHEMBL399495; PON9OFP69G; SCHEMBL5561408.
IUPAC/Chemical Name
Urea, N-((1R,2S)-3-((3S)-3-((4-fluorophenyl)methyl)-1-piperidinyl)-2-hydroxy-1-methylpropyl)-N'-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)-
InChi Key
JTVSGNGYUGCQJP-FHJLPGHOSA-N
InChi Code
InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
SMILES Code
C[C@H]([C@H](CN1CCC[C@H](C1)Cc2ccc(cc2)F)O)NC(=O)Nc3cccc(c3)c4nnnn4C
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, not in water
Shelf Life
>2 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
481.57
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 |
1: Dhar TG, Yang G, Davies P, Malley MF, Gougoutas JZ, Wu DR, Barrish JC, Carter PH. Urea based CCR3 antagonists employing a tetrahydro-1,3-oxazin-2-one spacer. Bioorg Med Chem Lett. 2009 Jan 1;19(1):96-9. doi: 10.1016/j.bmcl.2008.11.002. Epub 2008 Nov 6. PubMed PMID: 19010676.
2: Gardner DS, Santella JB 3rd, Tebben AJ, Batt DG, Ko SS, Traeger SC, Welch PK, Wadman EA, Davies P, Carter PH, Duncia JV. From rigid cyclic templates to conformationally stabilized acyclic scaffolds. Part II: Acyclic replacements for the (3S)-3-benzylpiperidine in a series of potent CCR3 antagonists. Bioorg Med Chem Lett. 2008 Jan 15;18(2):586-95. Epub 2007 Nov 28. PubMed PMID: 18160284.
3: Santella JB 3rd, Gardner DS, Yao W, Shi C, Reddy P, Tebben AJ, DeLucca GV, Wacker DA, Watson PS, Welch PK, Wadman EA, Davies P, Solomon KA, Graden DM, Yeleswaram S, Mandlekar S, Kariv I, Decicco CP, Ko SS, Carter PH, Duncia JV. From rigid cyclic templates to conformationally stabilized acyclic scaffolds. Part I: the discovery of CCR3 antagonist development candidate BMS-639623 with picomolar inhibition potency against eosinophil chemotaxis. Bioorg Med Chem Lett. 2008 Jan 15;18(2):576-85. Epub 2007 Nov 22. PubMed PMID: 18096386.
