PIK-39

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

MedKoo CAT#: 406327

CAS#: 371242-53-4

Description: PIK-39 is a potent PI3K inhibitor.


Chemical Structure

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PIK-39
CAS# 371242-53-4

Theoretical Analysis

MedKoo Cat#: 406327
Name: PIK-39
CAS#: 371242-53-4
Chemical Formula: C21H15ClN6O2S
Exact Mass: 450.06657
Molecular Weight: 450.9
Elemental Analysis: C, 55.94; H, 3.35; Cl, 7.86; N, 18.64; O, 7.10; S, 7.11

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Synonym: PIK39; PIK 39; PIK-39.

IUPAC/Chemical Name: 2-(((9H-purin-6-yl)thio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3H)-one

InChi Key: UMMYTDJYDSTEMB-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)

SMILES Code: O=C1N(C2=CC=CC=C2OC)C(CSC3=C4N=CNC4=NC=N3)=NC5=C1C(Cl)=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: 0 – 4 oC for short term (weeks to 1 month) or -20 oC for long terms (months to years).

Solubility: Soluble in DMSO, not soluble 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

Preparing Stock Solutions

The following data is based on the product molecular weight 450.9 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

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1. Methods for treating oncovirus positive cancers. By Jimeno, Antonio; Hausman, Diana F.; Peterson, Scott. From PCT Int. Appl. (2012), WO 2012118978 A1 20120907, 2. Use of phosphatidylinositol-3'-kinase (PI3K) p110 delta isoform inhibitors for treating retroviral infection and replication. By Katsikis, Peter D.; Boesteanu, Alina C.; Turner, Martin. From PCT Int. Appl. (2012), WO 2012009452 A1 20120119,

3. Genetic polymorphisms as indicators for the use of phosphatidylinositol-3-kinase p110Δ-targeted drugs in the treatment of psychiatric disorders. By Law, Amanda J.; Weinberger, Daniel R.. From PCT Int. Appl. (2010), WO 2010065923 A2 20100610,

4. The p110δ structure: Mechanisms for selectivity and potency of new PI(3)K inhibitors. [Erratum to document cited in CA152:375583]. By Berndt, Alex; Miller, Simon; Williams, Olusegun; Le, Daniel D.; Houseman, Benjamin T.; Pacold, Joseph I.; Gorrec, Fabrice; Hon, Wai-Ching; Ren, Pingda; Rommel, Christian; et al. From Nature Chemical Biology (2010), 6(4), 306. ,

5. The p110δ structure: mechanisms for selectivity and potency of new PI(3)K inhibitors. [Erratum to document cited in CA152:375583]. By Berndt, Alex; Miller, Siimon; Williams, Olusegun; Le, Daniel D.; Houseman, Benjamin T.; Pacold, Joseph I.; Gorrec, Fabrice; Hon, Wai-Chon; Liu, Yi; Rommel, Christian; et al. From Nature Chemical Biology (2010), 6(3), 244. ,

6. The p110δ structure: mechanisms for selectivity and potency of new PI(3)K inhibitors. By Berndt, Alex; Miller, Simon; Williams, Olusegun; Le, Daniel D.; Houseman, Benjamin T.; Pacold, Joseph I.; Gorrec, Fabrice; Hon, Wai-Ching; Liu, Yi; Rommel, Christian; et al. From Nature Chemical Biology (2010), 6(2), 117-124. , DOI:10.1038/nchembio.293

7. Phosphoinositide-3-kinase (PI3K) inhibitors: Identification of new scaffolds using virtual screening. By Frederick, Raphael; Mawson, Claire; Kendall, Jackie D.; Chaussade, Claire; Rewcastle, Gordon W.; Shepherd, Peter R.; Denny, William A.. From Bioorganic & Medicinal Chemistry Letters (2009), 19(20), 5842-5847. , DOI:10.1016/j.bmcl.2009.08.087

8. Phosphoinositide modulation for the treatment of neurodegenerative diseases. By Kim, Tae-Wan; Dipaolo, Gilbert; Kang, Min Suk; Berman, Diego; McIntire, Laura Beth Johnson. From PCT Int. Appl. (2008), WO 2008064244 A2 20080529,

9. Methods of inhibiting leukocyte accumulation. By Diacovo, Thomas G.; Hayflick, Joel S.; Puri, Kamal D.. From PCT Int. Appl. (2006), WO 2006089106 A2 20060824,

10. A pharmacological map of the PI3-K family defines a role for p110α in insulin signaling. By Knight, Zachary A.; Gonzalez, Beatriz; Feldman, Morri E.; Zunder, Eli R.; Goldenberg, David D.; Williams, Olusegun; Loewith, Robbie; Stokoe, David; Balla, Andras; Toth, Balazs; et al. From Cell (Cambridge, MA, United States) (2006), 125(4), 733-747. , DOI:10.1016/j.cell.2006.03.035

11. A dual PI3 kinase/mTOR inhibitor reveals emergent efficacy in glioma. By Fan, Qi-Wen; Knight, Zachary A.; Goldenberg, David D.; Yu, Wei; Mostov, Keith E.; Stokoe, David; Shokat, Kevan M.; Weiss, William A.. From Cancer Cell (2006), 9(5), 341-349. , DOI:10.1016/j.ccr.2006.03.029

12. Action mechanisms and structure-activity relationships of PI3Kγ inhibitors on the enzyme: a molecular modeling study. By Kuang, R.-R.; Qian, F.; Li, Z.; Wei, D.-Z.; Tang, Y.. From European Journal of Medicinal Chemistry (2006), 41(4), 558-565. , DOI:10.1016/j.ejmech.2006.01.017

13. Methods for treating mast cell disorders. By Hayflick, Joel S.; Pefaur, Noah; Puri, Kamal D.; Tino, William. From PCT Int. Appl. (2005), WO 2005120511 A1 20051222,

14. Methods using phosphoinositide 3-kinase δ inhibitors for treating and/or preventing aberrant proliferation of hematopoietic cells. By Hayflick, Joel S.; Bouscary, Didier; Lacombe, Catherine; Mayeux, Patrick. From PCT Int. Appl. (2005), WO 2005117889 A1 20051215,

15. Phosphoinositide 3-kinase δ selective inhibitors for inhibiting angiogenesis. By Hallahan, Dennis; Hayflick, Joel S.; Sadhu, Chanchal. From PCT Int. Appl. (2005), WO 2005112935 A1 20051201,

16. Phosphoinositide 3-kinase δ-selective inhibitors for treating and preventing hypertension and hypertension-related disorders. By Watts, Stephanie W.; Northcott, Carrie A.. From PCT Int. Appl. (2005), WO 2005067901 A2 20050728,

17. Methods of inhibiting immune responses stimulated by an endogenous factor by administering phosphoinositide 3-kinase δ selective inhibitors. By Douangpanya, Jason; Hayflick, Joel S.; Puri, Kamal D.. From U.S. Pat. Appl. Publ. (2005), US 20050043239 A1 20050224,

18. Methods of inhibiting leukocyte accumulation. By Diacovo, Thomas G.; Hayflick, Joel S.; Puri, Kamal D.. From PCT Int. Appl. (2005), WO 2005016349 A1 20050224,

19. Method using a phosphoinositide 3-kinase δ inhibitor for inhibiting immune responses stimulated by an endogenous factor. By Douangpanya, Jason; Hayflick, Joel S.; Puri, Kamal D.. From PCT Int. Appl. (2005), WO 2005016348 A1 20050224, ~6 Citings

20. Preparation of purinylquinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta. By Sadhu, Chanchal; Dick, Ken; Treiberg, Jennifer; Sowell, C. Gregory; Kesicki, Edward A.; Oliver, Amy. From U.S. Pat. Appl. Publ. (2002), US 20020161014 A1 20021031,

21. Quinazolinone derivatives as inhibitors of human phosphatidylinositol 3-kinase delta. By Sadhu, Chanchal; Dick, Ken; Treiberg, Jennifer; Sowell, C. Gregory; Kesicki, Edward A.; Oliver, Amy. From PCT Int. Appl. (2001), WO 2001081346 A2 20011101.

PIK-39

10.0mg / Not available


Additional Information