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MedKoo Cat#: 206164 | Name: Rupitasertib HCl

Description:

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

Rupitasertib, also known as M2698, MSC-2363318A, is a potent dual-inhibitor of p70S6K and Akt that affects tumor growth in mouse models of cancer and crosses the blood-brain barrier. M2698 was highly potent in vitro (IC50 1 nM for p70S6K, Akt1 and Akt3 inhibition; IC50 17 nM for pGSK3β indirect inhibition) and in vivo (IC50 15 nM for pS6 indirect inhibition), and relatively selective (only 6/264 kinases had an IC50 within 10-fold of p70S6K).

Chemical Structure

Rupitasertib HCl
Rupitasertib HCl
CAS# Rupitasertib HCl

Theoretical Analysis

MedKoo Cat#: 206164

Name: Rupitasertib HCl

CAS#: Rupitasertib HCl

Chemical Formula: C21H20Cl2F3N5O

Exact Mass: 0.0000

Molecular Weight: 486.32

Elemental Analysis: C, 51.87; H, 4.15; Cl, 14.58; F, 11.72; N, 14.40; O, 3.29

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1379545-95-5 (free base) Rupitasertib HCl
Synonym
M2698 HCl; M2698 hydrochloride; MSC2363318A; MSC 2363318A; MSC-2363318A; M2698; M-2698; M 2698. Rupitasertib HCl;
IUPAC/Chemical Name
(S)-4-((2-(azetidin-1-yl)-1-(4-chloro-3-(trifluoromethyl)phenyl)ethyl)amino)quinazoline-8-carboxamide hydrochloride
InChi Key
AVLBEMHEKRLPQR-UNTBIKODSA-N
InChi Code
InChI=1S/C21H19ClF3N5O.ClH/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20;/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29);1H/t17-;/m1./s1
SMILES Code
O=C(C1=CC=CC2=C(N[C@@H](C3=CC=C(Cl)C(C(F)(F)F)=C3)CN4CCC4)N=CN=C12)N.[H]Cl
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
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Preparing Stock Solutions

The following data is based on the product molecular weight 486.32 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: Tsimberidou AM, Shaw JV, Juric D, Verschraegen C, Weise AM, Sarantopoulos J, Lopes G, Nemunaitis J, Mita M, Park H, Ellers-Lenz B, Tian H, Xiong W, Kaleta R, Kurzrock R. Phase 1 study of M2698, a p70S6K/AKT dual inhibitor, in patients with advanced cancer. J Hematol Oncol. 2021 Aug 18;14(1):127. doi: 10.1186/s13045-021-01132-z. PMID: 34407844; PMCID: PMC8371902. 2: Machl A, Wilker EW, Tian H, Liu X, Schroeder P, Clark A, Huck BR. M2698 is a potent dual-inhibitor of p70S6K and Akt that affects tumor growth in mouse models of cancer and crosses the blood-brain barrier. Am J Cancer Res. 2016 Mar 15;6(4):806-18. PMID: 27186432; PMCID: PMC4859885. 3: DeSelm L, Huck B, Lan R, Neagu C, Potnick J, Xiao Y, Chen X, Jones R, Richardson TE, Heasley BH, Haxell T, Moore J, Tian H, Georgi K, Rohdich F, Sutton A, Johnson T, Mochalkin I, Jackson J, Lin J, Crowley L, Machl A, Clark A, Wilker E, Sherer B, Goutopoulos A. Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J Med Chem. 2021 Oct 14;64(19):14603-14619. doi: 10.1021/acs.jmedchem.1c01087. Epub 2021 Oct 1. PMID: 34596404. 4: Luk IS, Bridgwater CM, Yu A, Boila LD, Yáñez-Bartolomé M, Lampano AE, Hulahan TS, Boukhali M, Kathiresan M, Macarulla T, Kenerson HL, Yamamoto N, Sokolov D, Engstrom IA, Sullivan LB, Lampe PD, Cooper JA, Yeung RS, Tian TV, Haas W, Saha SK, Kugel S. SRC inhibition enables formation of a growth suppressive MAGI1-PP2A complex in isocitrate dehydrogenase-mutant cholangiocarcinoma. Sci Transl Med. 2024 May 15;16(747):eadj7685. doi: 10.1126/scitranslmed.adj7685. Epub 2024 May 15. PMID: 38748774; PMCID: PMC11218711. 5: Shechter S, Pal RK, Trovato F, Rozen O, Gage MJ, Avni D. p70S6K as a Potential Anti-COVID-19 Target: Insights from Wet Bench and In Silico Studies. Cells. 2024 Oct 24;13(21):1760. doi: 10.3390/cells13211760. PMID: 39513867; PMCID: PMC11545240. 6: Tsimberidou AM, Skliris A, Valentine A, Shaw J, Hering U, Vo HH, Chan TO, Armen RS, Cottrell JR, Pan JQ, Tsichlis PN. AKT inhibition in the central nervous system induces signaling defects resulting in psychiatric symptomatology. Cell Biosci. 2022 May 7;12(1):56. doi: 10.1186/s13578-022-00793-8. PMID: 35525984; PMCID: PMC9080159. 7: Fukuoka S, Koga Y, Yamauchi M, Koganemaru S, Yasunaga M, Shitara K, Doi T, Yoshino T, Kuronita T, Elenbaas B, Wahra P, Zhang H, Crowley L, Jenkins MH, Clark A, Kojima T. p70S6K/Akt dual inhibitor DIACC3010 is efficacious in preclinical models of gastric cancer alone and in combination with trastuzumab. Sci Rep. 2023 Sep 25;13(1):16017. doi: 10.1038/s41598-023-40612-9. PMID: 37749105; PMCID: PMC10520030. 8: Gerard MN, Trick WE, Das K, Charles-Damte M, Murphy GA, Benson IM. Use of clinical decision support to increase influenza vaccination: multi-year evolution of the system. J Am Med Inform Assoc. 2008 Nov-Dec;15(6):776-9. doi: 10.1197/jamia.M2698. Epub 2008 Aug 28. PMID: 18756001; PMCID: PMC2585533.