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PF 543

PF 543 structure

PF 543 

structure
  • CAS No:

    1415562-82-1

  • Formula:

    C27H31NO4S

  • Chemical Name:

    PF 543

  • Synonyms:

    PF 543;PF543;PF-543;PF543/PF-543;(2R)-1-[[4-[[3-Methyl-5-[(phenylsulfonyl)Methyl]phenoxy]Methyl]phenyl]Methyl]-2-pyrrolidineMethanol;2-PyrrolidineMethanol, 1-[[4-[[3-Methyl-5-[(phenylsulfonyl)Methyl]phenoxy]Methyl]phenyl]Methyl]-, (2R)-

  • Categories:

    Biochemical Engineering  >  Inhibitors

Description

PF-543 is a novel cell-permeant inhibitor of SPHK1 with a Ki of 4.3 nM and more than 100-fold selectivity for SPHK1 over SPHK2.


[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]-2-pyrrolidinyl]methanol is a sulfonamide.

PF 543 Basic Attributes

465.60434

465.197388

DTXSID90735359

Characteristics

75.2

4.16

1.2±0.1 g/cm3

666.0±55.0 °C at 760 mmHg

356.6±31.5 °C

1.610

Drug Information

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

1-((4-((3-methyl-5-((phenylsulfonyl)methyl)phenoxy)methyl)phenyl)methyl)-2R-pyrrolidinemethanol

Computed Properties

Molecular Weight:465.6
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:465.19737964
Monoisotopic Mass:465.19737964
Topological Polar Surface Area:75.2
Heavy Atom Count:33
Complexity:679
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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