Synonym
ML-339; ML 339; ML339.
IUPAC/Chemical Name
N-((1R,3s,5S)-9-(2-((2-chlorophenyl)amino)-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,5-trimethoxybenzamide
InChi Key
SSPYAPRDKNCABY-LDLYASANSA-N
InChi Code
InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+
SMILES Code
O=C(N[C@@H]1C[C@H](N2CC(NC3=CC=CC=C3Cl)=O)CCC[C@H]2C1)C4=CC(OC)=C(OC)C(OC)=C4
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
502.01
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: Hershberger PM, Peddibhotla S, Sugarman E, Maloney P, Key D, Suyama E, Nguyen
K, Vasile S, Kraft M, Stonich D, Mangravita-Novo A, Vicchiarelli M, Gosalia P,
Milewski M, Li L, Hedrick M, Sun Q, Sergienko E, Cheltsov A, Salanawil S, Diwan
J, Smith LH, Taichman RS, Chung TDY, Pinkerton AB, Malany S, Roth GP. Probing the
CXCR6/CXCL16 Axis: Targeting Prevention of Prostate Cancer Metastasis. 2012 Dec
15 [updated 2014 May 13]. Probe Reports from the NIH Molecular Libraries Program
[Internet]. Bethesda (MD): National Center for Biotechnology Information (US);
2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK158948/
PubMed PMID: 24049849.
