Synonym
PF-5274857; PF 5274857; PF5274857 HCl; PF-5274857 mesylate
IUPAC/Chemical Name
1-(4-(5'-chloro-3,5-dimethyl-[2,4'-bipyridin]-2'-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one mesylate
InChi Key
JHCGTLZMXJAINA-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H25ClN4O3S.CH4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28;1-5(2,3)4/h10-13H,4-9H2,1-3H3;1H3,(H,2,3,4)
SMILES Code
O=C(N1CCN(C2=NC=C(Cl)C(C3=NC=C(C)C=C3C)=C2)CC1)CCS(=O)(C)=O.OS(=O)(C)=O
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
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
533.06
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: Zhou WJ, Chen J, Feng Y, Fan YP, Li Q, Fu J, Zhang P. [Inhibition of
Cigarettes Smoke-induced Epithelial to Mesenchymal Transition by the SMO
Inhibitor PF-5274857 in Beas-2b Epithelial Cells]. Sichuan Da Xue Xue Bao Yi Xue
Ban. 2016 Jul;47(4):485-490. Chinese. PubMed PMID: 28591947.
2: Lauressergues E, Heusler P, Lestienne F, Troulier D, Rauly-Lestienne I,
Tourette A, Ailhaud MC, Cathala C, Tardif S, Denais-Laliève D, Calmettes MT,
Degryse AD, Dumoulin A, De Vries L, Cussac D. Pharmacological evaluation of a
series of smoothened antagonists in signaling pathways and after topical
application in a depilated mouse model. Pharmacol Res Perspect. 2016 Mar
4;4(2):e00214. doi: 10.1002/prp2.214. eCollection 2016 Apr. PubMed PMID:
27069629; PubMed Central PMCID: PMC4804317.
3: Rohner A, Spilker ME, Lam JL, Pascual B, Bartkowski D, Li QJ, Yang AH, Stevens
G, Xu M, Wells PA, Planken S, Nair S, Sun S. Effective targeting of Hedgehog
signaling in a medulloblastoma model with PF-5274857, a potent and selective
Smoothened antagonist that penetrates the blood-brain barrier. Mol Cancer Ther.
2012 Jan;11(1):57-65. doi: 10.1158/1535-7163.MCT-11-0691. Epub 2011 Nov 14.
PubMed PMID: 22084163.
