Duvelisib hydrate

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

MedKoo CAT#: 330227

CAS#: 1386861-49-9 (hydrate)

Description: Duvelisib, also known as IPI-145 and INK-1197, is an orally bioavailable, highly selective and potent small molecule inhibitor of the delta and gamma isoforms of phosphoinositide-3 kinase (PI3K) with potential immunomodulating and antineoplastic activities. Upon administration, PI3K delta/gamma inhibitor IPI 145 prevents the activation of the PI3K delta/gamma-mediated signaling pathways which may lead to a reduction in cellular proliferation in PI3K delta/gamma-expressing tumor cells. Unlike other isoforms of PI3K, the delta and gamma isoforms are overexpressed primarily in hematologic malignancies and inflammatory and autoimmune diseases.

Chemical Structure

img
Duvelisib hydrate
CAS# 1386861-49-9 (hydrate)
Instruction

Theoretical Analysis

MedKoo Cat#: 330227
Name: Duvelisib hydrate
CAS#: 1386861-49-9 (hydrate)
Chemical Formula: C22H19ClN6O2
Exact Mass: 0.00
Molecular Weight: 434.884
Elemental Analysis: C, 60.76; H, 4.40; Cl, 8.15; N, 19.33; O, 7.36

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Related CAS #: 1386861-49-9 (hydrate)   1201438-56-3 (free)    

Synonym: IPI145; IPI 145; IPI-145. INK1197; INK 1197; INK-1197; Duvelisib; Copiktra; Duvelisib hydrate

IUPAC/Chemical Name: (S)-3-(1-((9H-purin-6-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one hydrate

InChi Key: FQLHRUBTGKTKPZ-ZOWNYOTGSA-N

InChi Code: InChI=1S/C22H17ClN6O.H2O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15;/h2-13H,1H3,(H2,24,25,26,27,28);1H2/t13-;/m0./s1

SMILES Code: O=C1N(C2=CC=CC=C2)C([C@@H](NC3=C4N=CNC4=NC=N3)C)=CC5=C1C(Cl)=CC=C5.[H]O[H]

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

Shelf Life: >3 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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 434.88 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:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012-. Available from http://www.ncbi.nlm.nih.gov/books/NBK548824/ PubMed PMID: 31644131.

2: Patel K, Danilov AV, Pagel JM. Duvelisib for CLL/SLL and follicular non-Hodgkin lymphoma. Blood. 2019 Nov 7;134(19):1573-1577. doi: 10.1182/blood.2019001795. PubMed PMID: 31554637.

3: Flinn IW, Cherry MA, Maris MB, Matous JV, Berdeja JG, Patel M. Combination trial of duvelisib (IPI-145) with rituximab or bendamustine/rituximab in patients with non-Hodgkin lymphoma or chronic lymphocytic leukemia. Am J Hematol. 2019 Dec;94(12):1325-1334. doi: 10.1002/ajh.25634. Epub 2019 Oct 4. PubMed PMID: 31490009.

4: Frustaci AM, Tedeschi A, Deodato M, Zamprogna G, Cairoli R, Montillo M. Duvelisib: a new phosphoinositide-3-kinase inhibitor in chronic lymphocytic leukemia. Future Oncol. 2019 Jul;15(19):2227-2239. doi: 10.2217/fon-2018-0881. Epub 2019 May 29. PubMed PMID: 31137964.

5: Rodrigues DA, Sagrillo FS, Fraga CAM. Duvelisib: A 2018 Novel FDA-Approved Small Molecule Inhibiting Phosphoinositide 3-Kinases. Pharmaceuticals (Basel). 2019 May 6;12(2). pii: E69. doi: 10.3390/ph12020069. PubMed PMID: 31064155; PubMed Central PMCID: PMC6631818.

6: Das M. Duvelisib in indolent non-Hodgkin lymphoma. Lancet Oncol. 2019 Mar;20(3):e138. doi: 10.1016/S1470-2045(19)30101-9. Epub 2019 Feb 21. PubMed PMID: 30799261.

7: Flinn IW, Miller CB, Ardeshna KM, Tetreault S, Assouline SE, Mayer J, Merli M, Lunin SD, Pettitt AR, Nagy Z, Tournilhac O, Abou-Nassar KE, Crump M, Jacobsen ED, de Vos S, Kelly VM, Shi W, Steelman L, Le N, Weaver DT, Lustgarten S, Wagner-Johnston ND, Zinzani PL. DYNAMO: A Phase II Study of Duvelisib (IPI-145) in Patients With Refractory Indolent Non-Hodgkin Lymphoma. J Clin Oncol. 2019 Apr 10;37(11):912-922. doi: 10.1200/JCO.18.00915. Epub 2019 Feb 11. Erratum in: J Clin Oncol. 2019 Jun 1;37(16):1448. PubMed PMID: 30742566.

8: Brown JR. DUO delivers for duvelisib. Blood. 2018 Dec 6;132(23):2422-2424. doi: 10.1182/blood-2018-10-879650. PubMed PMID: 30523122; PubMed Central PMCID: PMC6284219.

9: Blair HA. Duvelisib: First Global Approval. Drugs. 2018 Nov;78(17):1847-1853. doi: 10.1007/s40265-018-1013-4. Review. PubMed PMID: 30430368.

10: Drugs and Lactation Database (LactMed) [Internet]. Bethesda (MD): National Library of Medicine (US); 2006-. Available from http://www.ncbi.nlm.nih.gov/books/NBK532492/ PubMed PMID: 30371996.

11: Duvelisib Approved for Leukemia, Lymphoma. Cancer Discov. 2018 Dec;8(12):OF4. doi: 10.1158/2159-8290.CD-NB2018-137. Epub 2018 Oct 23. PubMed PMID: 30352859.

12: Das M. Duvelisib in haematological malignancies. Lancet Oncol. 2018 Nov;19(11):e586. doi: 10.1016/S1470-2045(18)30756-3. Epub 2018 Oct 11. PubMed PMID: 30318318.

13: Flinn IW, Hillmen P, Montillo M, Nagy Z, Illés Á, Etienne G, Delgado J, Kuss BJ, Tam CS, Gasztonyi Z, Offner F, Lunin S, Bosch F, Davids MS, Lamanna N, Jaeger U, Ghia P, Cymbalista F, Portell CA, Skarbnik AP, Cashen AF, Weaver DT, Kelly VM, Turnbull B, Stilgenbauer S. The phase 3 DUO trial: duvelisib vs ofatumumab in relapsed and refractory CLL/SLL. Blood. 2018 Dec 6;132(23):2446-2455. doi: 10.1182/blood-2018-05-850461. Epub 2018 Oct 4. PubMed PMID: 30287523; PubMed Central PMCID: PMC6284216.

14: O'Brien S, Patel M, Kahl BS, Horwitz SM, Foss FM, Porcu P, Jones J, Burger J, Jain N, Allen K, Faia K, Douglas M, Stern HM, Sweeney J, Kelly P, Kelly V, Flinn I. Duvelisib, an oral dual PI3K-δ,γ inhibitor, shows clinical and pharmacodynamic activity in chronic lymphocytic leukemia and small lymphocytic lymphoma in a phase 1 study. Am J Hematol. 2018 Nov;93(11):1318-1326. doi: 10.1002/ajh.25243. Epub 2018 Oct 20. PubMed PMID: 30094870.

15: Faia K, White K, Murphy E, Proctor J, Pink M, Kosmider N, McGovern K, Kutok J. The phosphoinositide-3 kinase (PI3K)-δ,γ inhibitor, duvelisib shows preclinical synergy with multiple targeted therapies in hematologic malignancies. PLoS One. 2018 Aug 1;13(8):e0200725. doi: 10.1371/journal.pone.0200725. eCollection 2018. PubMed PMID: 30067771; PubMed Central PMCID: PMC6070190.

16: Flinn IW, Patel M, Oki Y, Horwitz S, Foss FF, Allen K, Douglas M, Stern H, Sweeney J, Kharidia J, Kelly P, Kelly VM, Kahl B. Duvelisib, an oral dual PI3K-δ, γ inhibitor, shows clinical activity in indolent non-Hodgkin lymphoma in a phase 1 study. Am J Hematol. 2018 Nov;93(11):1311-1317. doi: 10.1002/ajh.25228. Epub 2018 Aug 31. PubMed PMID: 30033575; PubMed Central PMCID: PMC6220789.

17: Kawada JI, Ando S, Torii Y, Watanabe T, Sato Y, Ito Y, Kimura H. Antitumor effects of duvelisib on Epstein-Barr virus-associated lymphoma cells. Cancer Med. 2018 Apr;7(4):1275-1284. doi: 10.1002/cam4.1311. Epub 2018 Mar 9. PubMed PMID: 29522278; PubMed Central PMCID: PMC5911584.

18: Horwitz SM, Koch R, Porcu P, Oki Y, Moskowitz A, Perez M, Myskowski P, Officer A, Jaffe JD, Morrow SN, Allen K, Douglas M, Stern H, Sweeney J, Kelly P, Kelly V, Aster JC, Weaver D, Foss FM, Weinstock DM. Activity of the PI3K-δ,γ inhibitor duvelisib in a phase 1 trial and preclinical models of T-cell lymphoma. Blood. 2018 Feb 22;131(8):888-898. doi: 10.1182/blood-2017-08-802470. Epub 2017 Dec 12. PubMed PMID: 29233821; PubMed Central PMCID: PMC5824337.

19: Flinn IW, O'Brien S, Kahl B, Patel M, Oki Y, Foss FF, Porcu P, Jones J, Burger JA, Jain N, Kelly VM, Allen K, Douglas M, Sweeney J, Kelly P, Horwitz S. Duvelisib, a novel oral dual inhibitor of PI3K-δ,γ, is clinically active in advanced hematologic malignancies. Blood. 2018 Feb 22;131(8):877-887. doi: 10.1182/blood-2017-05-786566. Epub 2017 Nov 30. PubMed PMID: 29191916; PubMed Central PMCID: PMC6033052.

20: Vangapandu HV, Jain N, Gandhi V. Duvelisib: a phosphoinositide-3 kinase δ/γ inhibitor for chronic lymphocytic leukemia. Expert Opin Investig Drugs. 2017 May;26(5):625-632. doi: 10.1080/13543784.2017.1312338. Epub 2017 Apr 13. Review. PubMed PMID: 28388280; PubMed Central PMCID: PMC5584596.