PF-5274857 hydrochloride

CAT: 0931-T35563Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T35563Size:50 mg

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CAS Number

1613439-62-5

Target

Others, Smo

Related Pathways

Others, Stem Cells

Bioactivity

PF-5274857 hydrochloride is a potent, orally active, selective Smo antagonist (IC50=5.8 nM, Ki=4.6 nM) that is permeable through the blood-brain barrier. It has research potential in various tumors, including brain tumors and brain metastases driven by activated Hh pathways.

Smiles

Cl.Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O

Molecular Formula

C20H26Cl2N4O3S

Molecular Weight

473.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PF-05274857 HCl

CAS Number	1613439-62-5
PubChem CID	90489027
IUPAC Name	1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-methylsulfonylpropan-1-one;hydrochloride
Molecular Formula	C20H26Cl2N4O3S
Molecular Weight	473.4
Topological Polar Surface Area	91.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	663

SMILES

CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C.Cl

InChI

InChI=1S/C20H25ClN4O3S.ClH/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;/h10-13H,4-9H2,1-3H3;1H

InChIKey

GULNFUQAVPTTQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1613439-62-5

CID: 90489027

Formula: C20H26Cl2N4O3S

MW: 473.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	473.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	472.1102673
Monoisotopic Mass	472.1102673
Topological Polar Surface Area	91.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	663
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
FP143187-01	PF 5274857 hydrochloride
HY-13459A	PF-5274857 (hydrochloride)
MBS5802445	PF-5274857 hydrochloride
M23767-01	PF-543 hydrochloride
XCC00135	Pf-04455242 hydrochloride
VHD01493-01	PF-CBP1 hydrochloride
HY-19562A	PF-06260933 (hydrochloride)
FA168704-01	PF-4859989 hydrochloride
HY-120088A-01	PF-06446846 (hydrochloride)
HY-13007A	PF-3758309 (hydrochloride)

PF-5274857 hydrochloride

Chemical Information

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