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MedKoo Cat#: 125464 | Name: PND-1186 HCl
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Description:

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

PND-1186, also known as SR-2156 and VS-4718, is a potent FAK inhibitor with a 50% inhibitory concentration (IC50) of 1.5 nM in vitro. PND-1186 has an IC50 of ~100 nM in breast carcinoma cells. Notably, 1.0 µM PND-1186 (>5-fold above IC50) had limited effects on cell proliferation. However, under non-adherent conditions as spheroids and as colonies in soft agar, 0.1 µM PND-1186 blocked FAK and p130Cas tyrosine phosphorylation, promoted caspase-3 activation, and triggered cell apoptosis. PND-1186 inhibited 4T1 breast carcinoma subcutaneous tumor growth correlated with elevated tumor cell apoptosis and caspase 3 activation.

Chemical Structure

PND-1186 HCl
PND-1186 HCl
CAS#1356154-94-3 (HCl)

Theoretical Analysis

MedKoo Cat#: 125464

Name: PND-1186 HCl

CAS#: 1356154-94-3 (HCl)

Chemical Formula: C25H27ClF3N5O3

Exact Mass: 537.1800

Molecular Weight: 537.97

Elemental Analysis: C, 55.82; H, 5.06; Cl, 6.59; F, 10.59; N, 13.02; O, 8.92

Price and Availability

Size Price Availability Quantity
10mg USD 295.00 2 Weeks
50mg USD 750.00 2 Weeks
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Related CAS #
1061353-68-1 (free base) 1356154-94-3 (HCl)
Synonym
PND-1186 HCl; PND1186 HCl; PND 1186 HCl; SR-2516 HCl; SR2516 HCl; SR 2516 HCl; VS-4718 HCl; VS4718 HCl; VS 4718 HCl
IUPAC/Chemical Name
2-((2-((2-methoxy-4-morpholinophenyl)amino)-5-(trifluoromethyl)pyridin-4-yl)amino)-N-methylbenzamide hydrochloride
InChi Key
OWQFAUOQRRIFLB-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H26F3N5O3.ClH/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33;/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32);1H
SMILES Code
Cl.CNC(=O)C1=C(NC2=C(C=NC(NC3=CC=C(C=C3OC)N4CCOCC4)=C2)C(F)(F)F)C=CC=C1
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 537.97 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: Jin B, Wang J, Chen Y, Zuo W, Hong B, Li J, Huang F, Zhang M, Wang Y. Focal adhesion kinase induces cardiac remodeling through NF-κB-mediated inflammatory responses in diabetic cardiomyopathy. Int Immunopharmacol. 2023 Jul;120:110280. doi: 10.1016/j.intimp.2023.110280. Epub 2023 May 20. PMID: 37216798. 2: Johnson B, Zhuang L, Rath EM, Yuen ML, Cheng NC, Shi H, Kao S, Reid G, Cheng YY. Exploring MicroRNA and Exosome Involvement in Malignant Pleural Mesothelioma Drug Response. Cancers (Basel). 2022 Sep 30;14(19):4784. doi: 10.3390/cancers14194784. PMID: 36230710; PMCID: PMC9564288. 3: Yuen ML, Zhuang L, Rath EM, Yu T, Johnson B, Sarun KH, Wang Y, Kao S, Linton A, Clarke CJ, McCaughan BC, Takahashi K, Lee K, Cheng YY. The Role of E-Cadherin and microRNA on FAK Inhibitor Response in Malignant Pleural Mesothelioma (MPM). Int J Mol Sci. 2021 Sep 23;22(19):10225. doi: 10.3390/ijms221910225. PMID: 34638565; PMCID: PMC8508233. 4: He J, Zhang S, Qiu Z, Li X, Huang H, Jin W, Xu Y, Shao G, Wang L, Meng J, Wang S, Geng X, Jia Y, Li M, Yang B, Jenny Lu HA, Zhou H. Inhibiting Focal Adhesion Kinase Ameliorates Cyst Development in Polycystin-1-Deficient Polycystic Kidney Disease in Animal Model. J Am Soc Nephrol. 2021 Sep;32(9):2159-2174. doi: 10.1681/ASN.2020111560. PMID: 34465607; PMCID: PMC8729842. 5: Mohamed AA, Thomsen A, Follo M, Zamboglou C, Bronsert P, Mostafa H, Amen A, Mekawy M, Grosu AL, Brunner TB. FAK inhibition radiosensitizes pancreatic ductal adenocarcinoma cells in vitro. Strahlenther Onkol. 2021 Jan;197(1):27-38. doi: 10.1007/s00066-020-01666-0. Epub 2020 Jul 23. PMID: 32705304; PMCID: PMC7801360. 6: Jiang H, Liu X, Knolhoff BL, Hegde S, Lee KB, Jiang H, Fields RC, Pachter JA, Lim KH, DeNardo DG. Development of resistance to FAK inhibition in pancreatic cancer is linked to stromal depletion. Gut. 2020 Jan;69(1):122-132. doi: 10.1136/gutjnl-2018-317424. Epub 2019 May 10. PMID: 31076405; PMCID: PMC7167297. 7: Wang S, Hwang EE, Guha R, O'Neill AF, Melong N, Veinotte CJ, Conway Saur A, Wuerthele K, Shen M, McKnight C, Alexe G, Lemieux ME, Wang A, Hughes E, Xu X, Boxer MB, Hall MD, Kung A, Berman JN, Davis MI, Stegmaier K, Crompton BD. High- throughput Chemical Screening Identifies Focal Adhesion Kinase and Aurora Kinase B Inhibition as a Synergistic Treatment Combination in Ewing Sarcoma. Clin Cancer Res. 2019 Jul 15;25(14):4552-4566. doi: 10.1158/1078-0432.CCR-17-0375. Epub 2019 Apr 12. PMID: 30979745; PMCID: PMC6634997. 8: Muz B, Buggio M, Azab F, de la Puente P, Fiala M, Padval MV, Weaver DT, Pachter JA, Vij R, Azab AK. PYK2/FAK inhibitors reverse hypoxia-induced drug resistance in multiple myeloma. Haematologica. 2019 Jul;104(7):e310-e313. doi: 10.3324/haematol.2018.194688. Epub 2019 Jan 17. PMID: 30655367; PMCID: PMC6601110. 9: Gnani D, Romito I, Artuso S, Chierici M, De Stefanis C, Panera N, Crudele A, Ceccarelli S, Carcarino E, D'Oria V, Porru M, Giorda E, Ferrari K, Miele L, Villa E, Balsano C, Pasini D, Furlanello C, Locatelli F, Nobili V, Rota R, Leonetti C, Alisi A. Focal adhesion kinase depletion reduces human hepatocellular carcinoma growth by repressing enhancer of zeste homolog 2. Cell Death Differ. 2017 May;24(5):889-902. doi: 10.1038/cdd.2017.34. Epub 2017 Mar 24. PMID: 28338656; PMCID: PMC5423113. 10: Kurmasheva RT, Gorlick R, Kolb EA, Keir ST, Maris JM, Lock RB, Carol H, Kang M, Reynolds CP, Wu J, Houghton PJ, Smith MA. Initial testing of VS-4718, a novel inhibitor of focal adhesion kinase (FAK), against pediatric tumor models by the Pediatric Preclinical Testing Program. Pediatr Blood Cancer. 2017 Apr;64(4):10.1002/pbc.26304. doi: 10.1002/pbc.26304. Epub 2016 Oct 27. PMID: 27786412; PMCID: PMC5578428. 11: Jiang H, Hegde S, Knolhoff BL, Zhu Y, Herndon JM, Meyer MA, Nywening TM, Hawkins WG, Shapiro IM, Weaver DT, Pachter JA, Wang-Gillam A, DeNardo DG. Targeting focal adhesion kinase renders pancreatic cancers responsive to checkpoint immunotherapy. Nat Med. 2016 Aug;22(8):851-60. doi: 10.1038/nm.4123. Epub 2016 Jul 4. PMID: 27376576; PMCID: PMC4935930. 12: Serrels A, Lund T, Serrels B, Byron A, McPherson RC, von Kriegsheim A, Gómez-Cuadrado L, Canel M, Muir M, Ring JE, Maniati E, Sims AH, Pachter JA, Brunton VG, Gilbert N, Anderton SM, Nibbs RJ, Frame MC. Nuclear FAK controls chemokine transcription, Tregs, and evasion of anti-tumor immunity. Cell. 2015 Sep 24;163(1):160-73. doi: 10.1016/j.cell.2015.09.001. PMID: 26406376; PMCID: PMC4597190. 13: Zhang Y, Moschetta M, Huynh D, Tai YT, Zhang Y, Zhang W, Mishima Y, Ring JE, Tam WF, Xu Q, Maiso P, Reagan M, Sahin I, Sacco A, Manier S, Aljawai Y, Glavey S, Munshi NC, Anderson KC, Pachter J, Roccaro AM, Ghobrial IM. Pyk2 promotes tumor progression in multiple myeloma. Blood. 2014 Oct 23;124(17):2675-86. doi: 10.1182/blood-2014-03-563981. Epub 2014 Sep 12. PMID: 25217697; PMCID: PMC4208283. 14: FAK inhibitor kills mesothelioma cells. Cancer Discov. 2014 Aug;4(8):OF3. doi: 10.1158/2159-8290.CD-NB2014-093. Epub 2014 Jun 19. PMID: 25092758. 15: Tancioni I, Uryu S, Sulzmaier FJ, Shah NR, Lawson C, Miller NL, Jean C, Chen XL, Ward KK, Schlaepfer DD. FAK Inhibition disrupts a β5 integrin signaling axis controlling anchorage-independent ovarian carcinoma growth. Mol Cancer Ther. 2014 Aug;13(8):2050-61. doi: 10.1158/1535-7163.MCT-13-1063. Epub 2014 Jun 4. PMID: 24899686; PMCID: PMC4126870. 16: Schaller MD, Frisch SM. PND-1186 FAK inhibitor selectively promotes tumor cell apoptosis in three-dimensional environments. Cancer Biol Ther. 2010 May 15;9(10):791-3. doi: 10.4161/cbt.11729. Epub 2010 May 8. PMID: 20364110. 17: Walsh C, Tanjoni I, Uryu S, Tomar A, Nam JO, Luo H, Phillips A, Patel N, Kwok C, McMahon G, Stupack DG, Schlaepfer DD. Oral delivery of PND-1186 FAK inhibitor decreases tumor growth and spontaneous breast to lung metastasis in pre-clinical models. Cancer Biol Ther. 2010 May 15;9(10):778-90. doi: 10.4161/cbt.9.10.11433. PMID: 20234193; PMCID: PMC2933309. 18: Tanjoni I, Walsh C, Uryu S, Tomar A, Nam JO, Mielgo A, Lim ST, Liang C, Koenig M, Sun C, Patel N, Kwok C, McMahon G, Stupack DG, Schlaepfer DD. PND-1186 FAK inhibitor selectively promotes tumor cell apoptosis in three-dimensional environments. Cancer Biol Ther. 2010 May 15;9(10):764-77. doi: 10.4161/cbt.9.10.11434. PMID: 20234191; PMCID: PMC2933317.

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A-443654

A-443654