Samotolisib
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MedKoo CAT#: 206214

CAS#: 1386874-06-1

Description: Samotolisib, also known as LY3023414, is a small molecule that has been shown in vitro to be a selective ATP-competitive inhibitor of PI3Kα and mTOR, DNA-PK, and other class I PI3K family members. In vitro, LY3023414 has demonstrated inhibitory activity against PI3K and mTOR in tumor cells, as well as antiproliferative activity and cell cycle effects. In addition, in vitro, LY3023414 inhibits the ability of PI3K and mTOR to phosphorylate substrates in the PI3K/mTOR pathway. LY3023414 is being investigated in a phase I clinical trial.


Chemical Structure

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Samotolisib
CAS# 1386874-06-1

Theoretical Analysis

MedKoo Cat#: 206214
Name: Samotolisib
CAS#: 1386874-06-1
Chemical Formula: C23H26N4O3
Exact Mass: 406.2005
Molecular Weight: 406.486
Elemental Analysis: C, 67.96; H, 6.45; N, 13.78; O, 11.81

Price and Availability

Size Price Availability Quantity
50.0mg USD 850.0 2 Weeks
100.0mg USD 1250.0 2 Weeks
200.0mg USD 1950.0 2 Weeks
500.0mg USD 2750.0 2 Weeks
1.0g USD 3950.0 2 Weeks
2.0g USD 6450.0 2 Weeks
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Synonym: LY3023414; LY-3023414; LY 3023414; Samotolisib.

IUPAC/Chemical Name: (S)-8-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-(2-methoxypropyl)-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one

InChi Key: ACCFLVVUVBJNGT-AWEZNQCLSA-N

InChi Code: InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1

SMILES Code: O=C(N1C[C@@H](OC)C)N(C)C2=C1C3=CC(C4=CC(C(C)(O)C)=CN=C4)=CC=C3N=C2

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

Preparing Stock Solutions

The following data is based on the product molecular weight 406.486 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: Zheng L, Li H, Mo Y, Qi G, Liu B, Zhao J. Autophagy inhibition sensitizes LY3023414-induced anti-glioma cell activity in vitro and in vivo. Oncotarget. 2017 Oct 27;8(58):98964-98973. doi: 10.18632/oncotarget.22147. PMID: 29228741; PMCID: PMC5716781.

2: Bendell JC, Varghese AM, Hyman DM, Bauer TM, Pant S, Callies S, Lin J, Martinez R, Wickremsinhe E, Fink A, Wacheck V, Moore KN. A First-in-Human Phase 1 Study of LY3023414, an Oral PI3K/mTOR Dual Inhibitor, in Patients with Advanced Cancer. Clin Cancer Res. 2018 Jul 15;24(14):3253-3262. doi: 10.1158/1078-0432.CCR-17-3421. Epub 2018 Apr 10. PMID: 29636360.

3: Zou Y, Ge M, Wang X. Targeting PI3K-AKT-mTOR by LY3023414 inhibits human skin squamous cell carcinoma cell growth in vitro and in vivo. Biochem Biophys Res Commun. 2017 Aug 19;490(2):385-392. doi: 10.1016/j.bbrc.2017.06.052. Epub 2017 Jun 13. PMID: 28623128.

4: Smith MC, Mader MM, Cook JA, Iversen P, Ajamie R, Perkins E, Bloem L, Yip YY, Barda DA, Waid PP, Zeckner DJ, Young DA, Sanchez-Felix M, Donoho GP, Wacheck V. Characterization of LY3023414, a Novel PI3K/mTOR Dual Inhibitor Eliciting Transient Target Modulation to Impede Tumor Growth. Mol Cancer Ther. 2016 Oct;15(10):2344-2356. doi: 10.1158/1535-7163.MCT-15-0996. Epub 2016 Jul 20. PMID: 27439478.

5: Zaidi AH, Kosovec JE, Matsui D, Omstead AN, Raj M, Rao RR, Biederman RWW, Finley GG, Landreneau RJ, Kelly RJ, Jobe BA. PI3K/mTOR Dual Inhibitor, LY3023414, Demonstrates Potent Antitumor Efficacy Against Esophageal Adenocarcinoma in a Rat Model. Ann Surg. 2017 Jul;266(1):91-98. doi: 10.1097/SLA.0000000000001908. PMID: 27471841.

6: Foley TM, Payne SN, Pasch CA, Yueh AE, Van De Hey DR, Korkos DP, Clipson L, Maher ME, Matkowskyj KA, Newton MA, Deming DA. Dual PI3K/mTOR Inhibition in Colorectal Cancers with APC and PIK3CA Mutations. Mol Cancer Res. 2017 Feb 9;15(3):317-327. doi: 10.1158/1541-7786.MCR-16-0256. Epub ahead of print. PMID: 28184015; PMCID: PMC5550373.

7: Rubinstein MM, Hyman DM, Caird I, Won H, Soldan K, Seier K, Iasonos A, Tew WP, O'Cearbhaill RE, Grisham RN, Hensley ML, Troso-Sandoval T, Sabbatini P, Guillen J, Selcuklu SD, Zimel C, Torrisi J, Aghajanian C, Makker V. Phase 2 study of LY3023414 in patients with advanced endometrial cancer harboring activating mutations in the PI3K pathway. Cancer. 2020 Mar 15;126(6):1274-1282. doi: 10.1002/cncr.32677. Epub 2019 Dec 27. PMID: 31880826.

8: Sakamoto Y, Yamagishi S, Tanizawa Y, Tajimi M, Okusaka T, Ojima H. PI3K-mTOR pathway identified as a potential therapeutic target in biliary tract cancer using a newly established patient-derived cell panel assay. Jpn J Clin Oncol. 2018 Apr 1;48(4):396-399. doi: 10.1093/jjco/hyy011. PMID: 29474549.

9: Wei L, Chintala S, Ciamporcero E, Ramakrishnan S, Elbanna M, Wang J, Hu Q, Glenn ST, Murakami M, Liu L, Gomez EC, Sun Y, Conroy J, Miles KM, Malathi K, Ramaiah S, Anbarasu A, Woloszynska-Read A, Johnson CS, Conroy J, Liu S, Morrison CD, Pili R. Genomic profiling is predictive of response to cisplatin treatment but not to PI3K inhibition in bladder cancer patient-derived xenografts. Oncotarget. 2016 Nov 22;7(47):76374-76389. doi: 10.18632/oncotarget.13062. PMID: 27823983; PMCID: PMC5363516.

10: Wickremsinhe ER, Callies S, Schmalz CA, Lee LB, LaBell ES, Satonin DK. Incorporating dried blood spot LC-MS/MS analysis for clinical development of a novel oncolytic agent. Bioanalysis. 2018 Mar 1;10(5):341-356. doi: 10.4155/bio-2017-0231. Epub 2018 Feb 16. PMID: 29451018.



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