WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206086
Description: ELND006 is a novel gamma secretase inhibitor previously under investigation for the oral treatment of Alzheimer's disease. ELND006 shows poor solubility and has moderate to high permeability. The in vivo performance of the ELND006 nanosuspension was tested in fed and fasted beagle dogs and compared with a gelatin capsule containing reference API. The results show that nanosizing ELND006 profoundly improved the oral bioavailability and virtually eliminated variation resulting from food intake.
MedKoo Cat#: 206086
Chemical Formula: C20H14F5N3O2S
Exact Mass: 455.07269
Molecular Weight: 455.4
Elemental Analysis: C, 52.75; H, 3.10; F, 20.86; N, 9.23; O, 7.03; S, 7.04
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Synonym: ELND006; ELND-006; ELND 006.
IUPAC/Chemical Name: (R)-4-cyclopropyl-7,8-difluoro-5-((4-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
InChi Key: XODSHWXKSMPDRP-LJQANCHMSA-N
InChi Code: InChI=1S/C20H14F5N3O2S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)31(29,30)12-5-3-11(4-6-12)20(23,24)25/h3-10,19H,1-2H2,(H,26,27)/t19-/m1/s1
SMILES Code: O=S(N1[C@H](C2CC2)C3=C(NN=C3)C4=C1C=C(F)C(F)=C4)(C5=CC=C(C(F)(F)F)C=C5)=O
Appearance: white solid powder
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: ELND006 was formulated as a nanosuspension with a mean particle size of less than 200 nm, which was stable in particle size and crystallinity for over 1 year. In addition, ELND006 nanosuspension exhibited rapid dissolution in comparison with reference active pharmaceutical ingredient (API).
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
The following data is based on the product molecular weight 455.4 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: Probst G, Aubele DL, Bowers S, Dressen D, Garofalo AW, Hom RK, Konradi AW, Marugg JL, Mattson MN, Neitzel ML, Semko CM, Sham HL, Smith J, Sun M, Truong AP, Ye XM, Xu YZ, Dappen MS, Jagodzinski JJ, Keim PS, Peterson B, Latimer LH, Quincy D, Wu J, Goldbach E, Ness DK, Quinn KP, Sauer JM, Wong K, Zhang H, Zmolek W, Brigham EF, Kholodenko D, Hu K, Kwong GT, Lee M, Liao A, Motter RN, Sacayon P, Santiago P, Willits C, Bard F, Bova MP, Hemphill SS, Nguyen L, Ruslim L, Tanaka K, Tanaka P, Wallace W, Yednock TA, Basi GS. Discovery of (R)-4-Cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro- 1H-pyrazolo[4,3-c]quinoline (ELND006) and (R)-4-Cyclopropyl-8-fluoro-5-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-4,5-dihydr o-2H-pyrazolo[4,3-c]quinoline (ELND007): Metabolically Stable γ-Secretase Inhibitors that Selectively Inhibit the Production of Amyloid-β over Notch. J Med Chem. 2013 Jun 20. [Epub ahead of print] PubMed PMID: 23713656.
2: Hopkins CR. ACS chemical neuroscience molecule spotlight on ELND006: another γ-secretase inhibitor fails in the clinic. ACS Chem Neurosci. 2011 Jun 15;2(6):279-80. doi: 10.1021/cn2000469. Review. PubMed PMID: 22778871; PubMed Central PMCID: PMC3369733.
3: Gullapalli R, Wong A, Brigham E, Kwong G, Wadsworth A, Willits C, Quinn K, Goldbach E, Samant B. Development of ALZETÂ® osmotic pump compatible solvent compositions to solubilize poorly soluble compounds for preclinical studies. Drug Deliv. 2012 Jun-Jul;19(5):239-46. doi: 10.3109/10717544.2012.691121. Epub 2012 Jun 1. PubMed PMID: 22656673.
4: Quinn K, Gullapalli RP, Merisko-Liversidge E, Goldbach E, Wong A, Liversidge GG, Hoffman W, Sauer JM, Bullock J, Tonn G. A formulation strategy for gamma secretase inhibitor ELND006, a BCS class II compound: development of a nanosuspension formulation with improved oral bioavailability and reduced food effects in dogs. J Pharm Sci. 2012 Apr;101(4):1462-74. doi: 10.1002/jps.23034. Epub 2011 Dec 28. PubMed PMID: 22213574.