PFI-2 hydrochloride
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Hodoodo CAT#: H407286

CAS#: 1627607-87-7 (HCl)

Description: PFI-2 is a potent inhibitor of SETD7 with IC50 2 nM and 1000-fold selectivity over other methyltransferases and other non-epigenetic targets. PFI-2 has been shown to bind to SETD7 by ITC (Kd=18nM) and biotinylated PFI-2 interacts with SETD7 in pull-down studies. Its enantiomer (S)-PFI-2 is 500-fold less active making it an excellent negative control. Treatment of low-density MEFs with (R)-PFI-2 resulted in higher nuclear YAP levels indicating an effect on the Hippo pathway.


Chemical Structure

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PFI-2 hydrochloride
CAS# 1627607-87-7 (HCl)

Theoretical Analysis

Hodoodo Cat#: H407286
Name: PFI-2 hydrochloride
CAS#: 1627607-87-7 (HCl)
Chemical Formula: C23H26ClF4N3O3S
Exact Mass: 499.16
Molecular Weight: 535.983
Elemental Analysis: C, 51.54; H, 4.89; Cl, 6.61; F, 14.18; N, 7.84; O, 8.95; S, 5.98

Price and Availability

Size Price Availability Quantity
50mg USD 450 2 Weeks
100mg USD 750 2 Weeks
200mg USD 1250 2 Weeks
500mg USD 2250 2 Weeks
1g USD 3650 2 Weeks
2g USD 5650 2 Weeks
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Related CAS #: 1627607-87-7 (HCl)   1627607-87-7 (free base)    

Synonym: PFI-2; PFI2; PFI 2; (R)-PFI-2; (R)-PFI-2 hydrochloride. PFI-2 hydrochloride

IUPAC/Chemical Name: (R)-8-fluoro-N-(1-oxo-1-(pyrrolidin-1-yl)-3-(3-(trifluoromethyl)phenyl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide hydrochloride

InChi Key: ZADKZNVAJGEFLC-ZMBIFBSDSA-N

InChi Code: InChI=1S/C23H25F4N3O3S.ClH/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;1H/t21-;/m1./s1

SMILES Code: 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

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info: Related CAS# 1627607-87-7 (PFI-2 HCl) 1627607-87-7 (PFI-2 free base)

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 535.98 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Daks A, Mamontova V, Fedorova O, Petukhov A, Shuvalov O, Parfenyev S, Netsvetay S, Venina A, Kizenko A, Imyanitov E, Barlev N. Set7/9 controls proliferation and genotoxic drug resistance of NSCLC cells. Biochem Biophys Res Commun. 2021 Oct 1;572:41-48. doi: 10.1016/j.bbrc.2021.07.086. Epub 2021 Jul 31. PMID: 34343833.


2: Liu B, Nie J, Liang H, Liang Z, Huang J, Yu W, Wen S. Pharmacological inhibition of SETD7 by PFI-2 attenuates renal fibrosis following folic acid and obstruction injury. Eur J Pharmacol. 2021 Jun 15;901:174097. doi: 10.1016/j.ejphar.2021.174097. Epub 2021 Apr 19. PMID: 33848540.


3: Hallaj T, Amjadi M, Qiu X, Susumu K, Medintz IL, Hildebrandt N. Terbium-to- quantum dot Förster resonance energy transfer for homogeneous and sensitive detection of histone methyltransferase activity. Nanoscale. 2020 Jul 2;12(25):13719-13730. doi: 10.1039/d0nr03383a. PMID: 32573632.


4: Shen Y, Ding Z, Ma S, Ding Z, Zhang Y, Zou Y, Xu F, Yang X, Schäfer MKE, Guo Q, Huang C. SETD7 mediates spinal microgliosis and neuropathic pain in a rat model of peripheral nerve injury. Brain Behav Immun. 2019 Nov;82:382-395. doi: 10.1016/j.bbi.2019.09.007. Epub 2019 Sep 7. PMID: 31505256.


5: Thijssen M, Janssen L, le Noble J, Foudraine N. Facing SpO2 and SaO2 discrepancies in ICU patients: is the perfusion index helpful? J Clin Monit Comput. 2020 Aug;34(4):693-698. doi: 10.1007/s10877-019-00371-3. Epub 2019 Aug 7. PMID: 31392655; PMCID: PMC7366881.


6: Hamidi T, Singh AK, Veland N, Vemulapalli V, Chen J, Hardikar S, Bao J, Fry CJ, Yang V, Lee KA, Guo A, Arrowsmith CH, Bedford MT, Chen T. Identification of Rpl29 as a major substrate of the lysine methyltransferase Set7/9. J Biol Chem. 2018 Aug 17;293(33):12770-12780. doi: 10.1074/jbc.RA118.002890. Epub 2018 Jun 29. PMID: 29959229; PMCID: PMC6102145.


7: Lenstra DC, Damen E, Leenders RGG, Blaauw RH, Rutjes FPJT, Wegert A, Mecinović J. Structure-Activity Relationship Studies on (R)-PFI-2 Analogues as Inhibitors of Histone Lysine Methyltransferase SETD7. ChemMedChem. 2018 Jul 18;13(14):1405-1413. doi: 10.1002/cmdc.201800242. Epub 2018 Jun 25. PMID: 29869845.


8: Goes SM, Trask CM, Boden C, Bath B, Ribeiro DC, Hendrick P, Clay L, Zeng X, Milosavljevic S. Measurement properties of instruments assessing permanent functional impairment of the spine: a systematic review protocol. BMJ Open. 2018 Jan 27;8(1):e019276. doi: 10.1136/bmjopen-2017-019276. PMID: 29374671; PMCID: PMC5829857.


9: Niu Y, Shi D, Li L, Guo J, Liu H, Yao X. 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. doi: 10.1038/srep46547. PMID: 28417976; PMCID: PMC5394549.


10: Guitot K, Drujon T, Burlina F, Sagan S, Beaupierre S, Pamlard O, Dodd RH, Guillou C, Bolbach G, Sachon E, Guianvarc'h D. A direct label-free MALDI-TOF mass spectrometry based assay for the characterization of inhibitors of protein lysine methyltransferases. Anal Bioanal Chem. 2017 Jun;409(15):3767-3777. doi: 10.1007/s00216-017-0319-5. Epub 2017 Apr 7. PMID: 28389916.


11: Marocco F, Vaira M, Milani A, Genta S, Maggiorotto F, Magistris A, Cinquegrana A, Robella M, De Simone M, Aglietta M, Ponzone R, Valabrega G. Secondary cytoreductive surgery, hyperthermic intraperitoneal intraoperative chemotherapy, and chemotherapy alone: a retrospective comparison of alternative approaches in relapsed platinum sensitive ovarian cancer. Eur J Gynaecol Oncol. 2016;37(5):638-643. PMID: 29787001.


12: Barsyte-Lovejoy D, Li F, Oudhoff MJ, Tatlock JH, Dong A, Zeng H, Wu H, Freeman SA, Schapira M, Senisterra GA, Kuznetsova E, Marcellus R, Allali-Hassani A, Kennedy S, Lambert JP, Couzens AL, Aman A, Gingras AC, Al-Awar R, Fish PV, Gerstenberger BS, Roberts L, Benn CL, Grimley RL, Braam MJ, Rossi FM, Sudol M, Brown PJ, Bunnage ME, Owen DR, Zaph C, Vedadi M, Arrowsmith CH. (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells. Proc Natl Acad Sci U S A. 2014 Sep 2;111(35):12853-8. doi: 10.1073/pnas.1407358111. Epub 2014 Aug 18. PMID: 25136132; PMCID: PMC4156762.

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