LY3295668
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MedKoo CAT#: 573174

CAS#: 1919888-06-4

Description: LY3295668, also known as AK-01, is potent Aurora-A kinase inhibitor.


Chemical Structure

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LY3295668
CAS# 1919888-06-4

Theoretical Analysis

MedKoo Cat#: 573174
Name: LY3295668
CAS#: 1919888-06-4
Chemical Formula: C24H26ClF2N5O2
Exact Mass: 489.17
Molecular Weight: 489.952
Elemental Analysis: C, 58.84; H, 5.35; Cl, 7.24; F, 7.76; N, 14.29; O, 6.53

Price and Availability

Size Price Availability Quantity
5mg USD 450
10mg USD 750
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Synonym: LY3295668, LY-3295668, LY 3295668; AK-01; AK 01; AK01;

IUPAC/Chemical Name: (2R,4R)-1-(3-chloro-2-fluorobenzyl)-4-((3-fluoro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)-2-methylpiperidine-4-carboxylic acid

InChi Key: YQQZZYYQTCPEAS-OYLFLEFRSA-N

InChi Code: InChI=1S/C24H26ClF2N5O2/c1-14-10-21(31-30-14)29-20-7-6-18(26)19(28-20)12-24(23(33)34)8-9-32(15(2)11-24)13-16-4-3-5-17(25)22(16)27/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1

SMILES Code: ClC1=CC=CC(CN2CC[C@](C(O)=O)(CC3=C(F)C=CC(NC4=NNC(C)=C4)=N3)C[C@H]2C)=C1F

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:

Product Data:
Biological target: LY3295668 (AK-01) is a potent, orally active and highly specific Aurora-A kinase inhibitor, with Ki values of 0.8 nM and 1038 nM for AurA and AurB.
In vitro activity: This study found that AK-01 potently suppresses MCC survival through apoptosis and cell cycle arrest, particularly in MCPyV-negative MCC cells without RB expression. Reference: Cancers (Basel). 2021 Jul 23;13(15):3708. https://pubmed.ncbi.nlm.nih.gov/34359608/
In vivo activity: LY3295668, an AURKA inhibitor with over 1,000-fold selectivity versus AURKB, is distinguished by minimal toxicity to bone marrow cells at concentrations active against RB1 mut cancer cells and leads to durable regression of RB1 mut tumor xenografts at exposures that are well tolerated in rodents. Reference: Cancer Discov. 2019 Feb;9(2):248-263. https://pubmed.ncbi.nlm.nih.gov/30373917/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 99.0 202.06
Ethanol 15.0 30.62

Preparing Stock Solutions

The following data is based on the product molecular weight 489.95 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. Das BK, Kannan A, Nguyen Q, Gogoi J, Zhao H, Gao L. Selective Inhibition of Aurora Kinase A by AK-01/LY3295668 Attenuates MCC Tumor Growth by Inducing MCC Cell Cycle Arrest and Apoptosis. Cancers (Basel). 2021 Jul 23;13(15):3708. doi: 10.3390/cancers13153708. PMID: 34359608; PMCID: PMC8345130. 2. Du J, Yan L, Torres R, Gong X, Bian H, Marugán C, Boehnke K, Baquero C, Hui YH, Chapman SC, Yang Y, Zeng Y, Bogner SM, Foreman RT, Capen A, Donoho GP, Van Horn RD, Barnard DS, Dempsey JA, Beckmann RP, Marshall MS, Chio LC, Qian Y, Webster YW, Aggarwal A, Chu S, Bhattachar S, Stancato LF, Dowless MS, Iversen PW, Manro JR, Walgren JL, Halstead BW, Dieter MZ, Martinez R, Bhagwat SV, Kreklau EL, Lallena MJ, Ye XS, Patel BKR, Reinhard C, Plowman GD, Barda DA, Henry JR, Buchanan SG, Campbell RM. Aurora A-Selective Inhibitor LY3295668 Leads to Dominant Mitotic Arrest, Apoptosis in Cancer Cells, and Shows Potent Preclinical Antitumor Efficacy. Mol Cancer Ther. 2019 Dec;18(12):2207-2219. doi: 10.1158/1535-7163.MCT-18-0529. Epub 2019 Sep 17. PMID: 31530649. 3. Gong X, Du J, Parsons SH, Merzoug FF, Webster Y, Iversen PW, Chio LC, Van Horn RD, Lin X, Blosser W, Han B, Jin S, Yao S, Bian H, Ficklin C, Fan L, Kapoor A, Antonysamy S, Mc Nulty AM, Froning K, Manglicmot D, Pustilnik A, Weichert K, Wasserman SR, Dowless M, Marugán C, Baquero C, Lallena MJ, Eastman SW, Hui YH, Dieter MZ, Doman T, Chu S, Qian HR, Ye XS, Barda DA, Plowman GD, Reinhard C, Campbell RM, Henry JR, Buchanan SG. Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of the RB1 Tumor Suppressor Gene. Cancer Discov. 2019 Feb;9(2):248-263. doi: 10.1158/2159-8290.CD-18-0469. Epub 2018 Oct 29. PMID: 30373917.
In vitro protocol: 1. Das BK, Kannan A, Nguyen Q, Gogoi J, Zhao H, Gao L. Selective Inhibition of Aurora Kinase A by AK-01/LY3295668 Attenuates MCC Tumor Growth by Inducing MCC Cell Cycle Arrest and Apoptosis. Cancers (Basel). 2021 Jul 23;13(15):3708. doi: 10.3390/cancers13153708. PMID: 34359608; PMCID: PMC8345130. 2. Du J, Yan L, Torres R, Gong X, Bian H, Marugán C, Boehnke K, Baquero C, Hui YH, Chapman SC, Yang Y, Zeng Y, Bogner SM, Foreman RT, Capen A, Donoho GP, Van Horn RD, Barnard DS, Dempsey JA, Beckmann RP, Marshall MS, Chio LC, Qian Y, Webster YW, Aggarwal A, Chu S, Bhattachar S, Stancato LF, Dowless MS, Iversen PW, Manro JR, Walgren JL, Halstead BW, Dieter MZ, Martinez R, Bhagwat SV, Kreklau EL, Lallena MJ, Ye XS, Patel BKR, Reinhard C, Plowman GD, Barda DA, Henry JR, Buchanan SG, Campbell RM. Aurora A-Selective Inhibitor LY3295668 Leads to Dominant Mitotic Arrest, Apoptosis in Cancer Cells, and Shows Potent Preclinical Antitumor Efficacy. Mol Cancer Ther. 2019 Dec;18(12):2207-2219. doi: 10.1158/1535-7163.MCT-18-0529. Epub 2019 Sep 17. PMID: 31530649.
In vivo protocol: 1. Gong X, Du J, Parsons SH, Merzoug FF, Webster Y, Iversen PW, Chio LC, Van Horn RD, Lin X, Blosser W, Han B, Jin S, Yao S, Bian H, Ficklin C, Fan L, Kapoor A, Antonysamy S, Mc Nulty AM, Froning K, Manglicmot D, Pustilnik A, Weichert K, Wasserman SR, Dowless M, Marugán C, Baquero C, Lallena MJ, Eastman SW, Hui YH, Dieter MZ, Doman T, Chu S, Qian HR, Ye XS, Barda DA, Plowman GD, Reinhard C, Campbell RM, Henry JR, Buchanan SG. Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of the RB1 Tumor Suppressor Gene. Cancer Discov. 2019 Feb;9(2):248-263. doi: 10.1158/2159-8290.CD-18-0469. Epub 2018 Oct 29. PMID: 30373917.

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1: Gong X, Du J, Parsons SH, Merzoug FF, Webster Y, Iversen PW, Chio LC, Van Horn RD, Lin X, Blosser W, Han B, Jin S, Yao S, Bian H, Ficklin C, Fan L, Kapoor A, Antonysamy S, Mc Nulty AM, Froning K, Manglicmot D, Pustilnik A, Weichert K, Wasserman SR, Dowless M, Marugán C, Baquero C, Lallena MJ, Eastman SW, Hui YH, Dieter MZ, Doman T, Chu S, Qian HR, Ye XS, Barda DA, Plowman GD, Reinhard C, Campbell RM, Henry JR, Buchanan SG. Aurora-A kinase inhibition is synthetic lethal with loss of the RB1 tumor suppressor gene. Cancer Discov. 2018 Oct 29. pii: CD-18-0469. doi: 10.1158/2159-8290.CD-18-0469. [Epub ahead of print] PubMed PMID: 30373917.