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pf-5274857

pf-5274857 structure

CAS No:
1373615-35-0
Formula:
C20H25ClN4O3S
Chemical Name:
pf-5274857
Synonyms:
pf-5274857;1-(4-(5-chloro-4-(3,5-diMethylpyridin-2-yl)pyridin-2-yl)piperazin-1-yl)-3-(Methylsulfonyl)propan-1-one;1-[4-(5′-Chloro-3,5-dimethyl-2,4′-bipyridin-2′-yl)piperazin-1-yl] -3- (methylsulfonyl)propan-1-one hydrochloride;PF-5274857 hydrochloride;1-[4-(5'-Chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-1-piperazinyl]-3-(methylsulfonyl)-1-propanone;1-(4-(5-Chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl)piperazin-1-yl)-3-(methylsulfonyl)prop
Categories:
Biochemical Engineering > Inhibitors

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pf-5274857 Basic Attributes

Molecular Weight：

436.9555

Exact Mass：

436.134

EC Number：

-0

DSSTox ID：

DTXSID70719132

Characteristics

PSA：

91.8

XLogP3：

1.8

Appearance：

white to beige

Water Solubility：

H2O: soluble3mg/mL, clear (warmed)

Storage Conditions：

room temp

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

1-(4-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one

pf-5274857 Use and Manufacturing

This brain-penetrating Smoothened (Smo) antagonist (FW = 436.96 g/mol; CAS 1373615-35-0), also known as 1-(4-(5-chloro-4-(3,5-dimethylpyridin- 2-yl)pyridin-2-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one, potentlyand selectively inhibits Hedgehog (Hh) signaling (IC50 = 5.8 nM; Ki = 4.6 nM). PF-5274857 elicits robust antitumor activity in a mouse model of medulloblastoma (IC50 = 8.9 nmol/L), with down-regulation of Gli1, a marker closely linked to the tumor growth inhibition in patched (

Computed Properties

Molecular Weight:437.0
XLogP3:1.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:436.1335895
Monoisotopic Mass:436.1335895
Topological Polar Surface Area:91.8
Heavy Atom Count:29
Complexity:663
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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