Synonym
CI-1044; CI 1044; CI1044; UNII-O4T475XIIY; PD-189659.
IUPAC/Chemical Name
(R)-N-(9-amino-4-oxo-1-phenyl-3,4,6,7-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-3-yl)nicotinamide
InChi Key
XGXOSJSGDNPEEF-NRFANRHFSA-N
InChi Code
InChI=1S/C23H19N5O2/c24-17-11-15-8-10-28-20(15)18(12-17)19(14-5-2-1-3-6-14)26-21(23(28)30)27-22(29)16-7-4-9-25-13-16/h1-7,9,11-13,21H,8,10,24H2,(H,27,29)/t21-/m0/s1
SMILES Code
Nc1cc2CCN3C(=O)[C@H](NC(=O)c4cccnc4)N=C(c5ccccc5)c(c1)c23
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
397.43
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: Pruniaux MP, Lagente V, Ouaged M, Bertin B, Moreau F, Julien-Larose C, Rocher MN, Leportier C, Martin B, Bouget A, Dubuit JP, Burnouf C, Doherty AM, Bertrand CP. Relationship between phosphodiesterase type 4 inhibition and anti-inflammatory activity of CI-1044 in rat airways. Fundam Clin Pharmacol. 2010 Feb;24(1):73-82. doi: 10.1111/j.1472-8206.2009.00725.x. Epub 2009 Jul 24. PubMed PMID: 19650853.
2: Hanton G, Sobry C, Daguès N, Provost JP, Le Net JL, Comby P, Chevalier S. Characterisation of the vascular and inflammatory lesions induced by the PDE4 inhibitor CI-1044 in the dog. Toxicol Lett. 2008 Jun 10;179(1):15-22. doi: 10.1016/j.toxlet.2008.03.009. Epub 2008 Mar 25. PubMed PMID: 18485625.
3: Ouagued M, Martin-Chouly CA, Brinchault G, Leportier-Comoy C, Depincé A, Bertrand C, Lagente V, Belleguic C, Pruniaux MP. The novel phosphodiesterase 4 inhibitor, CI-1044, inhibits LPS-induced TNF-alpha production in whole blood from COPD patients. Pulm Pharmacol Ther. 2005;18(1):49-54. Epub 2004 Nov 23. PubMed PMID: 15607127.
