Synonym
PF-184298; PF 184298; PF184298.
IUPAC/Chemical Name
Benzamide, 2,3-dichloro-N-(2-methylpropyl)-N-(3S)-3-pyrrolidinyl-
InChi Key
PIKCALBGLDBAKK-NSHDSACASA-N
InChi Code
InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
SMILES Code
O=C(N(CC(C)C)[C@@H]1CNCC1)C2=CC=CC(Cl)=C2Cl
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
>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
315.24
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: Harrison A, Gardner I, Hay T, Dickins M, Beaumont K, Phipps A, Purkins L, Allan G, Christian R, Duckworth J, Gurrell I, Kempshall S, Savage M, Seymour M, Simpson M, Taylor L, Turnpenny P. Case studies addressing human pharmacokinetic uncertainty using a combination of pharmacokinetic simulation and alternative first in human paradigms. Xenobiotica. 2012 Jan;42(1):57-74. doi: 10.3109/00498254.2011.622418. Epub 2011 Oct 12. PubMed PMID: 21992032.
2: Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA. N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett. 2009 Sep 1;19(17):5078-81. doi: 10.1016/j.bmcl.2009.07.049. Epub 2009 Jul 31. Erratum in: Bioorg Med Chem Lett. 2010 Jan 15;20(2):772. Ryckmans, Thomas [added]. PubMed PMID: 19647430.
