Related CAS #
1426916-00-8; 1426916-01-9 (R-isomer)
Synonym
ML-299; ML 299; ML299; VU0463568; VU-0463568; VU 0463568.
IUPAC/Chemical Name
(S)-4-bromo-N-(1-(1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl)benzamide
InChi Key
RFKXAYJUFUZBMA-INIZCTEOSA-N
InChi Code
InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
SMILES Code
O=C(N[C@@H](C)CN(CC1)CCC1(N(C2=CC=CC(F)=C2)CN3)C3=O)C4=CC=C(Br)C=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
489.39
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: Scott SA, O’Reilly MC, Daniels JS, Morrison R, Ptak R, Dawson ES, Tower N,
Engers JL, Engers DW, Oguin T, Thomas P, White L, Brown HA, Lindsley CW.
Development of a Selective, Allosteric PLD1/2 Inhibitor in a Novel Scaffold. 2012
Apr 5 [updated 2013 Mar 14]. 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/NBK143555/
PubMed PMID: 23762925.
2: O'Reilly MC, Scott SA, Brown KA, Oguin TH 3rd, Thomas PG, Daniels JS, Morrison
R, Brown HA, Lindsley CW. Development of dual PLD1/2 and PLD2 selective
inhibitors from a common 1,3,8-Triazaspiro[4.5]decane Core: discovery of Ml298
and Ml299 that decrease invasive migration in U87-MG glioblastoma cells. J Med
Chem. 2013 Mar 28;56(6):2695-9. doi: 10.1021/jm301782e. Epub 2013 Mar 13. PubMed
PMID: 23445448; PubMed Central PMCID: PMC3632306.
