Synonym
CE-245677; CE 245677; CE245677; CE-245,677; CE 245,677; CE245,677
IUPAC/Chemical Name
1-(5-(4-amino-7-isopropyl-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonyl)-2-methoxyphenyl)-3-(2,4-dichlorophenyl)urea
InChi Key
VFCRSIORGUNNGT-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H22Cl2N6O3/c1-12(2)32-10-15(20-22(27)28-11-29-23(20)32)21(33)13-4-7-19(35-3)18(8-13)31-24(34)30-17-6-5-14(25)9-16(17)26/h4-12H,1-3H3,(H2,27,28,29)(H2,30,31,34)
SMILES Code
O=C(NC1=CC=C(Cl)C=C1Cl)NC2=CC(C(C3=CN(C(C)C)C4=NC=NC(N)=C43)=O)=CC=C2OC
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
More Info
Phase I multiple dose trials were stopped due to the development of significant CNS adverse events which included cognitive deficits, personality changes, and sleep disturbances.
Related CAS#
717899-97-3 (CE-245677 free base)
941588-92-7 (CE-245677 phosphate)
941588-94-9 (CE-245677 sulfate)
941588-96-1 (CE-245677 besylate)
941588-98-3 (CE-245677 tosylate)
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
125.0 |
243.48 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
513.38
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 |
http://cancerres.aacrjournals.org/content/67/9_Supplement/3259
Identification of selective, orally active Tie2 kinase inhibitors and discovery of CE-245,677 and PF-371,989
Susan LaGreca, Joel Arcari, Deborah Baker, Gary Borzillo, Jinshan Chen, Tracey Clark, Bruce Cohen, William Hungerford, Shefali Kakar, Aaron Kanter, Elisabeth Knauth, Yong Lu, Luis Martinez-Alsina, Matthew Marx, Nandini Patel, Catherine Soderstrom, George Tkalcevic, Carl Thompson, Merin Troutman, Patrick Vincent and Matthew Wessel
AACR Annual Meeting-- Apr 14-18, 2007; Los Angeles, CA
Published 1 May 2007
