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PF 429242

CAT: 0607-B5415-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5415-10Size:10 mg
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Description
inhibitor of sterol regulatory element-binding protein (SREBP) site 1 protease
CAS Number
947303-87-9
Product Name Alternative
(R)-4-((diethylamino)methyl)-N-(2-methoxyphenethyl)-N-(pyrrolidin-3-yl)benzamide
Field of Research
Proteases Other Proteases
Form
White solid
Solubility
<24.12mg/ml in H2O; <24.12mg/ml in DMSO
Smiles
CCN(CC1=CC=C(C(N([C@]2([H])CCNC2)CCC3=CC=CC=C3OC)=O)C=C1)CC
Molecular Formula
C25H35N3O2·2HCl
Molecular Weight
482.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

PF-429242

a subtilisin kexin isozyme-1/site-1 protease inhibitor

CAS Number947303-87-9
PubChem CID23661637
IUPAC Name4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
Molecular FormulaC25H35N3O2
Molecular Weight409.6
XLogP3.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity503
SMILES
CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)[C@@H]3CCNC3
InChI
InChI=1S/C25H35N3O2/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/t23-/m1/s1
InChIKey
XKPJTOHUPQWSOJ-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of PF-429242
CAS: 947303-87-9
CID: 23661637
Formula: C25H35N3O2
MW: 409.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.6
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass409.27292737
Monoisotopic Mass409.27292737
Topological Polar Surface Area44.8 Ų
Heavy Atom Count30
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 Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-507498PF-429242
C11875-10mM/1mLPF 429242
A11230-2PF 429242 2mg
A11230-50PF 429242 50mg
A11230-100PF 429242 100mg
A11230-1PF 429242 1mg
A11230-25PF 429242 25mg
A11230-10PF 429242 10mg

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