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PF429242 dihydrochloride

CAT: 1568-C04824-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C04824-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2248666-66-0
Additionnal Information
PF429242 dihydrochloride is a reversible and competitive SREBP site 1 protease (S1P) inhibitor with an IC50 of 175 nM.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

PF429242 (dihydrochloride)
CAS Number2248666-66-0
PubChem CID90488837
IUPAC Name4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;dihydrochloride
Molecular FormulaC25H37Cl2N3O2
Molecular Weight482.5
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity503
SMILES
CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)[C@@H]3CCNC3.Cl.Cl
InChI
InChI=1S/C25H35N3O2.2ClH/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3;;/h6-13,23,26H,4-5,14-19H2,1-3H3;2*1H/t23-;;/m1../s1
InChIKey
GSUZWFZKTIOWTI-MQWQBNKOSA-N
Chemical Structure
2D Structure
2D structure of PF429242 (dihydrochloride)
CAS: 2248666-66-0
CID: 90488837
Formula: C25H37Cl2N3O2
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass481.2262828
Monoisotopic Mass481.2262828
Topological Polar Surface Area44.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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A21386-50PF429242 dihydrochloride 50mg
A21386-10PF429242 dihydrochloride 10mg
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