4-Piperidinol, 1-[6-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-

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4-Piperidinol, 1-[6-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]- Basic information
Product Name:4-Piperidinol, 1-[6-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-
Synonyms:4-Piperidinol, 1-[6-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-;SMO-IN-4
CAS:1567963-99-8
MF:C24H27ClN6O
MW:450.96
EINECS:
Product Categories:
Mol File:1567963-99-8.mol
4-Piperidinol, 1-[6-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]- Structure
4-Piperidinol, 1-[6-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]- Chemical Properties
Boiling point 684.4±65.0 °C(Predicted)
density 1.313±0.06 g/cm3(Predicted)
pka14.55±0.20(Predicted)
Safety Information
MSDS Information
4-Piperidinol, 1-[6-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]- Usage And Synthesis
UsesSMO-IN-4 (Compound 24) is a potent and orally active smoothened antagonist (IC50: 24 nM). SMO-IN-4 has antitumor activity[1].
in vivo

SMO-IN-4 (50 mg/kg, daily by oral gavage) leads to regression of subcutaneous tumor in a subcutaneous xenograft model of Ptch1+/- mouse medulloblastoma[2].
PK properties of SMO-IN-4 (compound 24)[2].

SpeciesDose (mg/kg)AUC0-24h (ng·h/mL)Cmax (ng/mL)t1/2 (h)F%
Mousep.o. (10 mg/kg)418341321.049
Ratp.o. (10 mg/kg)554121802.362
Dogp.o. (5 mg/kg)765613005.472
References[1] Lu W, et al. Design, Synthesis, and Structure-Activity Relationship of Tetrahydropyrido[4,3-d]pyrimidine Derivatives as Potent Smoothened Antagonists with in Vivo Activity. ACS Chem Neurosci. 2017 Sep 20;8(9):1980-1994. DOI:10.1021/acschemneuro.7b00153
4-Piperidinol, 1-[6-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]- Preparation Products And Raw materials
Raw materials2-Methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyriMidine -6-carboxylic acid tert-butyl ester-->2,5-Dichloropyridine
Tag:4-Piperidinol, 1-[6-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]-(1567963-99-8) Related Product Information