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Pefabloc

CAT: 0013-GTR19210128-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210128-02Size:50 mg
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Description
Pefabloc is an irreversible serine protease inhibitor that potently inhibits both human and rat platelet-activating factor acetylhydrolase (PAF-AH) . It is widely used in biochemical and cardiovascular research to study PAF metabolism and inflammation pathways in vitro.
CAS Number
2131171-67-8
Smiles
[C@@H] (C (=O) N1CC (C (NCC2=CC=CS2) =O) CCC1) (CC3=CC (C (=N) N) =CC=C3) NS (=O) (=O) C4=CC5=C (C=C4) C=CC=C5
Molecular Formula
C31H33N5O4S2
Molecular Weight
603.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CAS Number2131171-67-8
PubChem CID145960914
IUPAC Name1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
Molecular FormulaC31H33N5O4S2
Molecular Weight603.8
XLogP3.6
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity1070
SMILES
C1CC(CN(C1)C(=O)[C@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NCC5=CC=CS5
InChI
InChI=1S/C31H33N5O4S2/c32-29(33)24-9-3-6-21(16-24)17-28(35-42(39,40)27-13-12-22-7-1-2-8-23(22)18-27)31(38)36-14-4-10-25(20-36)30(37)34-19-26-11-5-15-41-26/h1-3,5-9,11-13,15-16,18,25,28,35H,4,10,14,17,19-20H2,(H3,32,33)(H,34,37)/t25?,28-/m0/s1
InChIKey
PIFQUSTVOQWPJQ-NMXAJACMSA-N
Chemical Structure
2D Structure
2D structure of 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CAS: 2131171-67-8
CID: 145960914
Formula: C31H33N5O4S2
MW: 603.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight603.8
XLogP33.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass603.19739690
Monoisotopic Mass603.19739690
Topological Polar Surface Area182 Ų
Heavy Atom Count42
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T69882-01Pefabloc

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