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PF-06446846 hydrochloride

CAT: 0957-E0116-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E0116-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1632250-50-0
Synonyms
PF846
Target
PCSK9
Applications
Metabolism
Smiles
Cl.ClC1=C (N=CC=C1) N (C2CCCNC2) C (=O) C3=CC=C (C=C3) [N]4N=NC5=C4N=CC=C5
Molecular Formula
C22H21Cl2N7O
Additionnal Information
PF-06446846 (PF846) Hydrochloride is an orally bioavailable and specific inhibitor of PCSK9 with an IC50 of 0.3 μM in Huh7 cells.
Storage Conditions
3 years -20°C powder

Chemical Information

PF-06446846 hydrochloride
CAS Number1632250-50-0
PubChem CID145925649
IUPAC NameN-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide;hydrochloride
Molecular FormulaC22H21Cl2N7O
Molecular Weight470.4
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity617
SMILES
C1C[C@H](CNC1)N(C2=C(C=CC=N2)Cl)C(=O)C3=CC=C(C=C3)N4C5=C(C=CC=N5)N=N4.Cl
InChI
InChI=1S/C22H20ClN7O.ClH/c23-18-5-2-12-25-20(18)29(17-4-1-11-24-14-17)22(31)15-7-9-16(10-8-15)30-21-19(27-28-30)6-3-13-26-21;/h2-3,5-10,12-13,17,24H,1,4,11,14H2;1H/t17-;/m1./s1
InChIKey
AQSJYIVIWBIHOU-UNTBIKODSA-N
Chemical Structure
2D Structure
2D structure of PF-06446846 hydrochloride
CAS: 1632250-50-0
CID: 145925649
Formula: C22H21Cl2N7O
MW: 470.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass469.1184637
Monoisotopic Mass469.1184637
Topological Polar Surface Area88.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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