IC-87114
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MedKoo CAT#: 406155

CAS#: 371242-69-2

Description: IC-87114 is a potent and ATP-competitive PI3K p110δ isoform-selective inhibitor (IC50 = 60 nM). It Inhibits p110α, p110β and p110γ only at much higher concentrations. It does not inhibit other PIK-related kinases such as ATM, ATR, DNA-PK, and mTOR even at concentrations up to 100 µM.


Chemical Structure

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IC-87114
CAS# 371242-69-2

Theoretical Analysis

MedKoo Cat#: 406155
Name: IC-87114
CAS#: 371242-69-2
Chemical Formula: C22H19N7O
Exact Mass: 397.17
Molecular Weight: 397.442
Elemental Analysis: C, 66.49; H, 4.82; N, 24.67; O, 4.03

Price and Availability

Size Price Availability Quantity
100mg USD 450 2 Weeks
200mg USD 750 2 Weeks
500mg USD 1350 2 Weeks
1g USD 2050 2 Weeks
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Synonym: IC87114; IC-87114; IC 87114.

IUPAC/Chemical Name: 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one

InChi Key: GNWHRHGTIBRNSM-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)

SMILES Code: O=C1N(C2=CC=CC=C2C)C(CN3C=NC4=C(N)N=CN=C34)=NC5=C1C(C)=CC=C5

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:         

Product Data:
Biological target: IC-87114 is a potent and selective PI3Kδ inhibitor with IC50 of 0.5 μM.
In vitro activity: A specific phosphatidylinositol 3-kinases δ inhibitor (IC87114) or genetic p110δ inactivation upregulated MMP-12 expression and c-Jun phosphorylation (n=6; P<0.05 versus wild-type macrophages). IC87114 also increased activator protein-1 DNA-binding activity (n=6; P<0.001 versus control) and enhanced the effect of tumor necrosis factor-α on activator protein-1-binding activity (n=5; P<0.01 versus tumor necrosis factor-α treatment groups). Knockdown of c-Jun suppressed the effect of the IC87114 and tumor necrosis factor-α on MMP-12 mRNA expression (n=5 in each group; P<0.01 versus scrRNA treatment groups). Reference: Arterioscler Thromb Vasc Biol. 2015 Feb;35(2):368-77. https://pubmed.ncbi.nlm.nih.gov/25503990/
In vivo activity: VV protein expression within the tumor was significantly enhanced by IC87114 at both 3 days (Figures 4C and 4E) and 7 days (Figures 4D and 4E) post-infection. Analysis of the spleen of mice treated with one dose of virus 3 h post-infection demonstrated an enhanced accumulation of VV protein in mice treated with vehicle buffer compared to IC87114 (Figures 4F–4H), consistent with the notion that IC87114 leads to a reduced early clearance of VVL15 by splenic macrophages and indicative of a dampening of the innate immune response to viral infection by inhibition of PI3Kδ. Reference: Mol Ther. 2020 May 6;28(5):1263-1275. https://pubmed.ncbi.nlm.nih.gov/32145202/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 30.0 75.48
DMSO 13.6 34.10
DMSO:PBS (pH 7.2) (1:1) 0.5 1.26

Preparing Stock Solutions

The following data is based on the product molecular weight 397.44 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: 1. Zheng L, Xing L, Zeng C, Wu T, Gui Y, Li W, Lan T, Yang Y, Gu Q, Qi C, Zhang Q, Tang F, He X, Wang L. Inactivation of PI3Kδ induces vascular injury and promotes aneurysm development by upregulating the AP-1/MMP-12 pathway in macrophages. Arterioscler Thromb Vasc Biol. 2015 Feb;35(2):368-77. doi: 10.1161/ATVBAHA.114.304365. Epub 2014 Dec 11. PMID: 25503990. 2. Sadhu C, Masinovsky B, Dick K, Sowell CG, Staunton DE. Essential role of phosphoinositide 3-kinase delta in neutrophil directional movement. J Immunol. 2003 Mar 1;170(5):2647-54. doi: 10.4049/jimmunol.170.5.2647. PMID: 12594293. 3. Ferguson MS, Chard Dunmall LS, Gangeswaran R, Marelli G, Tysome JR, Burns E, Whitehead MA, Aksoy E, Alusi G, Hiley C, Ahmed J, Vanhaesebroeck B, Lemoine NR, Wang Y. Transient Inhibition of PI3Kδ Enhances the Therapeutic Effect of Intravenous Delivery of Oncolytic Vaccinia Virus. Mol Ther. 2020 May 6;28(5):1263-1275. doi: 10.1016/j.ymthe.2020.02.017. Epub 2020 Feb 28. PMID: 32145202; PMCID: PMC7210704. 4. Lee HY, Lee GH, Kim HR, Lee YC, Chae HJ. Phosphatidylinositol 3-kinase-δ controls endoplasmic reticulum membrane fluidity and permeability in fungus-induced allergic inflammation in mice. Br J Pharmacol. 2020 Apr;177(7):1556-1567. doi: 10.1111/bph.14917. Epub 2020 Jan 27. PMID: 31713846; PMCID: PMC7060358.
In vitro protocol: 1. Zheng L, Xing L, Zeng C, Wu T, Gui Y, Li W, Lan T, Yang Y, Gu Q, Qi C, Zhang Q, Tang F, He X, Wang L. Inactivation of PI3Kδ induces vascular injury and promotes aneurysm development by upregulating the AP-1/MMP-12 pathway in macrophages. Arterioscler Thromb Vasc Biol. 2015 Feb;35(2):368-77. doi: 10.1161/ATVBAHA.114.304365. Epub 2014 Dec 11. PMID: 25503990. 2. Sadhu C, Masinovsky B, Dick K, Sowell CG, Staunton DE. Essential role of phosphoinositide 3-kinase delta in neutrophil directional movement. J Immunol. 2003 Mar 1;170(5):2647-54. doi: 10.4049/jimmunol.170.5.2647. PMID: 12594293.
In vivo protocol: 1. Ferguson MS, Chard Dunmall LS, Gangeswaran R, Marelli G, Tysome JR, Burns E, Whitehead MA, Aksoy E, Alusi G, Hiley C, Ahmed J, Vanhaesebroeck B, Lemoine NR, Wang Y. Transient Inhibition of PI3Kδ Enhances the Therapeutic Effect of Intravenous Delivery of Oncolytic Vaccinia Virus. Mol Ther. 2020 May 6;28(5):1263-1275. doi: 10.1016/j.ymthe.2020.02.017. Epub 2020 Feb 28. PMID: 32145202; PMCID: PMC7210704. 2. Lee HY, Lee GH, Kim HR, Lee YC, Chae HJ. Phosphatidylinositol 3-kinase-δ controls endoplasmic reticulum membrane fluidity and permeability in fungus-induced allergic inflammation in mice. Br J Pharmacol. 2020 Apr;177(7):1556-1567. doi: 10.1111/bph.14917. Epub 2020 Jan 27. PMID: 31713846; PMCID: PMC7060358.

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1: Thappali SR, Varanasi KV, Veeraraghavan S, Vakkalanka SK, Mukkanti K. Simultaneous quantitation of IC87114, roflumilast and its active metabolite roflumilast N-oxide in plasma by LC-MS/MS: application for a pharmacokinetic study. J Mass Spectrom. 2012 Dec;47(12):1612-9. doi: 10.1002/jms.3103. PubMed PMID: 23280750.

2: So L, Yea SS, Oak JS, Lu M, Manmadhan A, Ke QH, Janes MR, Kessler LV, Kucharsky JM, Li LS, Martin MB, Ren P, Jessen KA, Liu Y, Rommel C, Fruman DA. Selective inhibition of phosphoinositide 3-kinase p110α preserves lymphocyte function. J Biol Chem. 2012 Dec 28. [Epub ahead of print] PubMed PMID: 23275335.

3: Durand CA, Richer MJ, Brenker K, Graves M, Shanina I, Choi K, Horwitz MS, Puri KD, Gold MR. Selective pharmacological inhibition of phosphoinositide 3-kinase p110delta opposes the progression of autoimmune diabetes in non-obese diabetic (NOD) mice. Autoimmunity. 2013 Feb;46(1):62-73. doi: 10.3109/08916934.2012.732130. PubMed PMID: 23039284.

4: Cain RJ, Vanhaesebroeck B, Ridley AJ. Different PI 3-kinase inhibitors have distinct effects on endothelial permeability and leukocyte transmigration. Int J Biochem Cell Biol. 2012 Nov;44(11):1929-36. doi: 10.1016/j.biocel.2012.07.009. Epub 2012 Jul 17. PubMed PMID: 22814170.

5: Rico B. Finding a druggable target for schizophrenia. Proc Natl Acad Sci U S A. 2012 Jul 24;109(30):11902-3. doi: 10.1073/pnas.1209389109. Epub 2012 Jul 9. PubMed PMID: 22778429; PubMed Central PMCID: PMC3409780.

6: Law AJ, Wang Y, Sei Y, O'Donnell P, Piantadosi P, Papaleo F, Straub RE, Huang W, Thomas CJ, Vakkalanka R, Besterman AD, Lipska BK, Hyde TM, Harrison PJ, Kleinman JE, Weinberger DR. Neuregulin 1-ErbB4-PI3K signaling in schizophrenia and phosphoinositide 3-kinase-p110δ inhibition as a potential therapeutic strategy. Proc Natl Acad Sci U S A. 2012 Jul 24;109(30):12165-70. doi: 10.1073/pnas.1206118109. Epub 2012 Jun 11. PubMed PMID: 22689948; PubMed Central PMCID: PMC3409795.

7: Ying H, Fu H, Rose ML, McCormack AM, Sarathchandra P, Okkenhaug K, Marelli-Berg FM. Genetic or pharmaceutical blockade of phosphoinositide 3-kinase p110δ prevents chronic rejection of heart allografts. PLoS One. 2012;7(3):e32892. doi: 10.1371/journal.pone.0032892. Epub 2012 Mar 30. PubMed PMID: 22479345; PubMed Central PMCID: PMC3316549.

8: Kang BN, Ha SG, Ge XN, Reza Hosseinkhani M, Bahaie NS, Greenberg Y, Blumenthal MN, Puri KD, Rao SP, Sriramarao P. The p110δ subunit of PI3K regulates bone marrow-derived eosinophil trafficking and airway eosinophilia in allergen-challenged mice. Am J Physiol Lung Cell Mol Physiol. 2012 Jun 1;302(11):L1179-91. doi: 10.1152/ajplung.00005.2012. Epub 2012 Mar 16. PubMed PMID: 22427531; PubMed Central PMCID: PMC3379039.

9: Tzenaki N, Andreou M, Stratigi K, Vergetaki A, Makrigiannakis A, Vanhaesebroeck B, Papakonstanti EA. High levels of p110δ PI3K expression in solid tumor cells suppress PTEN activity, generating cellular sensitivity to p110δ inhibitors through PTEN activation. FASEB J. 2012 Jun;26(6):2498-508. doi: 10.1096/fj.11-198192. Epub 2012 Mar 5. PubMed PMID: 22391131.

10: Goodwin CB, Yang Z, Yin F, Yu M, Chan RJ. Genetic disruption of the PI3K regulatory subunits, p85α, p55α, and p50α, normalizes mutant PTPN11-induced hypersensitivity to GM-CSF. Haematologica. 2012 Jul;97(7):1042-7. doi: 10.3324/haematol.2011.046896. Epub 2012 Feb 7. PubMed PMID: 22315502; PubMed Central PMCID: PMC3396676.