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PFI-2 (hydrochloride)

CAT: 0804-HY-18627A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18627A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PFI-2 ((R) -PFI-2 hydrochloride) hydrochloride is a potent and selective SET domain containing lysine methyltransferase 7 (SETD7) inhibitor. (R) -PFI-2 shows high inhibiting activity with IC50 value of 2.0 nM and (S) -PFI-2 shows inhibiting activity with IC50 value of 1.0 μM. PFI-2 hydrochloride can be used for the research of chronic kidney disease and inflammation response in the development of renal fibrosis[1][2].
CAS Number
1627607-87-7
Product Name Alternative
(R) -PFI-2 hydrochloride
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer; Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/PFI-2-hydrochloride.html
Purity
99.48
Solubility
DMSO : ≥ 32 mg/mL|H2O : 5.56 mg/mL (ultrasonic)
Smiles
O=S(C1=CC2=C(CNCC2)C(F)=C1)(N[C@H](CC3=CC=CC(C(F)(F)F)=C3)C(N4CCCC4)=O)=O.[H]Cl
Molecular Formula
C23H26ClF4N3O3S
Molecular Weight
535.98
Precautions
H302, H315, H319, H335
References & Citations
[1]Yuzhen Niu, et al. Revealing inhibition difference between PFI-2 enantiomers against SETD7 by molecular dynamics simulations, binding free energy calculations and unbinding pathway analysis. Sci Rep. 2017 Apr 18;7:46547.|[2]Benquan Liu, et al. Pharmacological inhibition of SETD7 by PFI-2 attenuates renal fibrosis following folic acid and obstruction injury. Eur J Pharmacol. 2021 Jun 15;901:174097.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
SETD7/KMT7
Citation 01
Diabetes. 2025 Jun 1;74 (6) :969-982.|Diabetes. 2025 Oct 1;74 (10) :1825-1838.|Int J Mol Med. 2021 Dec;48 (6) :210.|Mol Carcinog. 2023 Aug;62 (8) :1119-1135.|Proc Natl Acad Sci U S A. 2019 Feb 19;116 (8) :2961-2966. |Research Square Print. September 20th, 2022.|Acta Pharmacol Sin. 2022 Feb;43 (2) :457-469.|Biochem Pharmacol. 2024 Jan:219:115964.|Med Oncol. 2023 Apr 12;40 (5) :146.|Patent. US20180263995A1.|Sci Adv. 2023 May 26;9 (21) :eade4186.|Sci Total Environ. 2022 Dec 5;861:160682.

Chemical Information

(R)-Pfi-2

a potent and selective inhibitor of SETD7 methyltransferase; structure in first source

CAS Number1627607-87-7
PubChem CID71300326
IUPAC Name8-fluoro-N-[(2R)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
Molecular FormulaC23H25F4N3O3S
Molecular Weight499.5
XLogP3.3
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity813
SMILES
C1CCN(C1)C(=O)[C@@H](CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F
InChI
InChI=1S/C23H25F4N3O3S/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2/t21-/m1/s1
InChIKey
JCKGSPAAPQRPBW-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of (R)-Pfi-2
CAS: 1627607-87-7
CID: 71300326
Formula: C23H25F4N3O3S
MW: 499.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass499.15527549
Monoisotopic Mass499.15527549
Topological Polar Surface Area86.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity813
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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