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MedKoo Cat#: 556378 | Name: PFI-2 free base
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

PFI-2 free base
PFI-2 free base
CAS#1627676-59-8 (free base)

Theoretical Analysis

MedKoo Cat#: 556378

Name: PFI-2 free base

CAS#: 1627676-59-8 (free base)

Chemical Formula: C23H25F4N3O3S

Exact Mass: 499.1553

Molecular Weight: 499.52

Elemental Analysis: C, 55.30; H, 5.04; F, 15.21; N, 8.41; O, 9.61; S, 6.42

Price and Availability

Size Price Availability Quantity
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,650.00 2 Weeks
1g USD 4,650.00 2 Weeks
2g USD 6,450.00 2 Weeks
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Related CAS #
1627607-87-7 (HCl) 1627676-59-8 (free base) 1627676-60-1 (S-isomer free base) 1627607-88-8 (S-isomer HCl)
Synonym
PFI-2 free base; (R)-PFI-2 free base; R-PFI-2 free base
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-sulfonamid
InChi Key
JCKGSPAAPQRPBW-OAQYLSRUSA-N
InChi Code
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
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
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 499.52 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
1: Maxwell S, Okabe J, Kaipananickal H, Rodriguez H, Khurana I, Al-Hasani K, Chow BSM, Pitsillou E, Karagiannis TC, Jandeleit-Dahm K, Ma RCW, Huang Y, Chan JCN, Cooper ME, El-Osta A. Set7 Methyltransferase and Phenotypic Switch in Diabetic Glomerular Endothelial Cells. J Am Soc Nephrol. 2024 Jun 1;35(6):733-748. doi: 10.1681/ASN.0000000000000345. Epub 2024 Apr 17. PMID: 38630537; PMCID: PMC11164123. 2: Liu N, Babazono A, Jamal A, Yoshida S, Yamao R, Ishihara R, Matsuda S, Li Y. Impact of fee-revision policy for gastrostomy on its implementation among older adults with dementia in Japan. Public Health. 2024 Feb;227:63-69. doi: 10.1016/j.puhe.2023.11.032. Epub 2023 Dec 20. PMID: 38118244. 3: Xu R, Liu X, Zhang Y, Wang K, Chen Z, Zheng J, Zhang T, Tong P, Qian Y, Yang W. Activating transcriptional coactivator with PDZ-binding motif by (R)-PFI-2 attenuates osteoclastogenesis and prevents ovariectomized-induced osteoporosis. Biochem Pharmacol. 2024 Jan;219:115964. doi: 10.1016/j.bcp.2023.115964. Epub 2023 Dec 2. PMID: 38049011. 4: Porzberg MRB, Lenstra DC, Damen E, Blaauw RH, Rutjes FPJT, Wegert A, Mecinović J. (R)-PFI-2 Analogues as Substrates and Inhibitors of Histone Lysine Methyltransferase SETD7. ChemMedChem. 2023 Dec 1;18(23):e202300457. doi: 10.1002/cmdc.202300457. Epub 2023 Nov 10. PMID: 37872124. 5: Monteiro FL, Góis A, Direito I, Melo T, Neves B, Alves MI, Batista I, Domingues MDR, Helguero LA. Inhibiting SETD7 methyl-transferase activity impairs differentiation, lipid metabolism and lactogenesis in mammary epithelial cells. FEBS Lett. 2023 Nov;597(21):2656-2671. doi: 10.1002/1873-3468.14737. Epub 2023 Oct 3. PMID: 37723127. 6: Pellecchia A, Kritikos M, Guralnik J, Ahuvia I, Santiago-Michels S, Carr M, Kotov R, Bromet EJ, Clouston SAP, Luft BJ. Physical Functional Impairment and the Risk of Incident Mild Cognitive Impairment in an Observational Study of World Trade Center Responders. Neurol Clin Pract. 2022 Dec;12(6):e162-e171. doi: 10.1212/CPJ.0000000000200089. PMID: 36540142; PMCID: PMC9757114. 7: Chung YL, Laiman V, Tsao PN, Chen CM, Heriyanto DS, Chung KF, Chuang KJ, Chuang HC. Diesel exhaust particles inhibit lung branching morphogenesis via the YAP/TAZ pathway. Sci Total Environ. 2023 Feb 25;861:160682. doi: 10.1016/j.scitotenv.2022.160682. Epub 2022 Dec 5. PMID: 36481141. 8: Lyu H, Zhou X, Qian Y, Liu X, Gopinathan G, Pandya M, Qin C, Luan X, Diekwisch TGH. Long-acting PFI-2 small molecule release and multilayer scaffold design achieve extensive new formation of complex periodontal tissues with unprecedented fidelity. Biomaterials. 2022 Nov;290:121819. doi: 10.1016/j.biomaterials.2022.121819. Epub 2022 Sep 22. PMID: 36209579. 9: Li J, Chen C, Zhou H, Zhai J, Zhao H, Li L. Anatomic Risk Factors for Osteochondral Fracture of Acute First-Time Patellar Dislocation in Adolescents: A Retrospective Magnetic Resonance Imaging Study. Evid Based Complement Alternat Med. 2022 Aug 8;2022:6723326. doi: 10.1155/2022/6723326. Retraction in: Evid Based Complement Alternat Med. 2023 Jul 19;2023:9786026. doi: 10.1155/2023/9786026. PMID: 35979012; PMCID: PMC9377871. 10: Ambrosini S, Montecucco F, Kolijn D, Pedicino D, Akhmedov A, Mohammed SA, Herwig M, Gorica E, Szabó PL, Weber L, Russo G, Vinci R, Matter CM, Liuzzo G, Brown PJ, Rossi FMV, Camici GG, Sciarretta S, Beltrami AP, Crea F, Podesser B, Lüscher TF, Kiss A, Ruschitzka F, Hamdani N, Costantino S, Paneni F. Methylation of the Hippo effector YAP by the methyltransferase SETD7 drives myocardial ischaemic injury: a translational study. Cardiovasc Res. 2023 Jan 18;118(17):3374-3385. doi: 10.1093/cvr/cvac102. PMID: 35709329. 11: Zhang H, Bai F, Song H, Yang J, Wang X, Ye Q, Zhou Y. Cumulative effect of risk and protective factors on unintentional injury for Chinese rural children: a nested case-control study. BMC Public Health. 2021 Sep 23;21(1):1730. doi: 10.1186/s12889-021-11769-7. PMID: 34556060; PMCID: PMC8461983. 12: 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. 13: 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. 14: 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. 15: Dong Y, Lau PWC, Dong B, Zou Z, Yang Y, Wen B, Ma Y, Hu P, Song Y, Ma J, Sawyer SM, Patton GC. Trends in physical fitness, growth, and nutritional status of Chinese children and adolescents: a retrospective analysis of 1·5 million students from six successive national surveys between 1985 and 2014. Lancet Child Adolesc Health. 2019 Dec;3(12):871-880. doi: 10.1016/S2352-4642(19)30302-5. Epub 2019 Sep 30. PMID: 31582349. 16: 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. 17: 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. 18: Tang B, Li B, Li B, Qin J, Zhao J, Xu J, Qiu Y, Wu Z, Fang M. Insights into the stereoselectivity of human SETD7 methyltransferase. RSC Adv. 2019 Mar 21;9(16):9218-9227. doi: 10.1039/c9ra00190e. PMID: 35517649; PMCID: PMC9062083. 19: 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. 20: 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.