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MedKoo Cat#: 406770 | Name: A-770041
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Description:

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

A-770041 is a potent ans selective LCK inhibitor. Concanavalin A-stimulated IL-2 production in whole blood is inhibited by A-770041 with an EC50 of approximately 80 nM. A-770041 is orally bioavailable (F = 34.1 +/- 7.2% at 10 mg/kg) and has a t(1/2) of 4.1 +/- 0.1 h. Concanavalin A-induced IL-2 production in vivo is inhibited by oral administration of A-770041 (in vivo EC50 = 78 +/- 28 nM). A-770041 reverses paclitaxel and doxorubicin resistance in osteosarcoma cells. A-770041 prevents organ allograft rejection.

Chemical Structure

A-770041
A-770041
CAS#869748-10-7

Theoretical Analysis

MedKoo Cat#: 406770

Name: A-770041

CAS#: 869748-10-7

Chemical Formula: C34H39N9O3

Exact Mass: 621.3176

Molecular Weight: 621.75

Elemental Analysis: C, 65.68; H, 6.32; N, 20.28; O, 7.72

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
25mg USD 1,050.00 2 Weeks
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Related CAS #
No Data
Synonym
A-770041; A 770041; A770041.
IUPAC/Chemical Name
(Z)-N-(4-(1-((1r,4r)-4-(4-acetylpiperazin-1-yl)cyclohexyl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carbimidic acid
InChi Key
ZMNWFTYYYCSSTF-SOAUALDESA-N
InChi Code
InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
SMILES Code
O/C(C(N1C)=CC2=C1C=CC=C2)=N\C3=CC=C(C4=NN([C@H]5CC[C@H](N6CCN(C(C)=O)CC6)CC5)C7=NC=NC(N)=C74)C=C3OC
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 621.75 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: Stachlewitz RF, Hart MA, Bettencourt B, Kebede T, Schwartz A, Ratnofsky SE, Calderwood DJ, Waegell WO, Hirst GC. A-770041, a novel and selective small- molecule inhibitor of Lck, prevents heart allograft rejection. J Pharmacol Exp Ther. 2005 Oct;315(1):36-41. doi: 10.1124/jpet.105.089169. Epub 2005 Jul 12. PMID: 16014572. 2: Duan Z, Zhang J, Ye S, Shen J, Choy E, Cote G, Harmon D, Mankin H, Hua Y, Zhang Y, Gray NS, Hornicek FJ. A-770041 reverses paclitaxel and doxorubicin resistance in osteosarcoma cells. BMC Cancer. 2014 Sep 19;14:681. doi: 10.1186/1471-2407-14-681. PMID: 25236161; PMCID: PMC4177239. 3: Kagawa K, Sato S, Koyama K, Imakura T, Murakami K, Yamashita Y, Naito N, Ogawa H, Kawano H, Nishioka Y. The lymphocyte-specific protein tyrosine kinase- specific inhibitor A-770041 attenuates lung fibrosis via the suppression of TGF-β production in regulatory T-cells. PLoS One. 2022 Oct 27;17(10):e0275987. doi: 10.1371/journal.pone.0275987. PMID: 36301948; PMCID: PMC9612470. 4: Burchat A, Borhani DW, Calderwood DJ, Hirst GC, Li B, Stachlewitz RF. Discovery of A-770041, a src-family selective orally active lck inhibitor that prevents organ allograft rejection. Bioorg Med Chem Lett. 2006 Jan 1;16(1):118-22. doi: 10.1016/j.bmcl.2005.09.039. Epub 2005 Oct 10. PMID: 16216497. 5: Liu J, Lu J, Li W, Mao W, Lu Y. Machine Learning Screens Potential Drugs Targeting a Prognostic Gene Signature Associated With Proliferation in Hepatocellular Carcinoma. Front Genet. 2022 Jun 28;13:900380. doi: 10.3389/fgene.2022.900380. PMID: 35836576; PMCID: PMC9273781. 6: Li L, Cui Y, Shen J, Dobson H, Sun G. Evidence for activated Lck protein tyrosine kinase as the driver of proliferation in acute myeloid leukemia cell, CTV-1. Leuk Res. 2019 Mar;78:12-20. doi: 10.1016/j.leukres.2019.01.006. Epub 2019 Jan 15. PMID: 30660961. 7: Weiße J, Rosemann J, Müller L, Kappler M, Eckert AW, Glaß M, Misiak D, Hüttelmaier S, Ballhausen WG, Hatzfeld M, Haemmerle M, Gutschner T. Identification of lymphocyte cell-specific protein-tyrosine kinase (LCK) as a driver for invasion and migration of oral cancer by tumor heterogeneity exploitation. Mol Cancer. 2021 Jun 11;20(1):88. doi: 10.1186/s12943-021-01384-w. Erratum in: Mol Cancer. 2023 Mar 14;22(1):50. PMID: 34116687; PMCID: PMC8194179. 8: Bai Z, Lu J, Chen A, Zheng X, Wu M, Tan Z, Xie J. Identification and Validation of Cuproptosis-Related LncRNA Signatures in the Prognosis and Immunotherapy of Clear Cell Renal Cell Carcinoma Using Machine Learning. Biomolecules. 2022 Dec 16;12(12):1890. doi: 10.3390/biom12121890. PMID: 36551318; PMCID: PMC9776244. 9: González-Rodríguez S, Lorenzo-Herrero S, Sordo-Bahamonde C, Hidalgo A, González S, Menéndez L, Baamonde A. Involvement of CD4+ and CD8+ T-lymphocytes in the modulation of nociceptive processing evoked by CCL4 in mice. Life Sci. 2022 Feb 15;291:120302. doi: 10.1016/j.lfs.2022.120302. Epub 2022 Jan 6. PMID: 34999112. 10: Cao PW, Liu L, Li ZH, Cao F, Liu FB. Prognostic Value of Drug Targets Predicted Using Deep Bioinformatic Analysis of m6A-Associated lncRNA-Based Pancreatic Cancer Model Characteristics and Its Tumour Microenvironment. Front Genet. 2022 Apr 25;13:853471. doi: 10.3389/fgene.2022.853471. PMID: 35547245; PMCID: PMC9081602. 11: Alqarni SA, Bineid A, Ahmad SF, Al-Harbi NO, Alqahtani F, Ibrahim KE, Ali N, Nadeem A. Blockade of Tyrosine Kinase, LCK Leads to Reduction in Airway Inflammation through Regulation of Pulmonary Th2/Treg Balance and Oxidative Stress in Cockroach Extract-Induced Mouse Model of Allergic Asthma. Metabolites. 2022 Aug 25;12(9):793. doi: 10.3390/metabo12090793. PMID: 36144198; PMCID: PMC9506330. 12: Meyn MA 3rd, Smithgall TE. Small molecule inhibitors of Lck: the search for specificity within a kinase family. Mini Rev Med Chem. 2008 Jun;8(6):628-37. doi: 10.2174/138955708784534454. PMID: 18537718. 13: Zhu D, Zhu Y, Liu L, He X, Fu S. Metabolomic analysis of vascular cognitive impairment due to hepatocellular carcinoma. Front Neurol. 2023 Mar 16;13:1109019. doi: 10.3389/fneur.2022.1109019. PMID: 37008043; PMCID: PMC10062391. 14: Wang H, Cui J, Yu J, Huang J, Li M. Identification of Fatty Acid Metabolism- Related lncRNAs as Biomarkers for Clinical Prognosis and Immunotherapy Response in Patients With Lung Adenocarcinoma. Front Genet. 2022 Apr 8;13:855940. doi: 10.3389/fgene.2022.855940. PMID: 35464865; PMCID: PMC9023759. 15: Lv C, Yang D, Zhang D, Shen J, Wang Z, He S, Meng L, Song J, Zhao J. The Expression of ARMCX1 in Gastric Cancer Contributes to Prognosis and Influences Chemotherapy. J Immunol Res. 2023 Jan 23;2023:2623317. doi: 10.1155/2023/2623317. PMID: 36726491; PMCID: PMC9886469. 16: Al-Harbi NO, Ahmad SF, Almutairi M, Alanazi AZ, Ibrahim KE, Alqarni SA, Alqahtani F, Alhazzani K, Alharbi M, Alasmari F, Nadeem A. Lck signaling inhibition causes improvement in clinical features of psoriatic inflammation through reduction in inflammatory cytokines in CD4+ T cells in imiquimod mouse model. Cell Immunol. 2022 Jun;376:104531. doi: 10.1016/j.cellimm.2022.104531. Epub 2022 May 13. PMID: 35576719. 17: Zepecki JP, Snyder KM, Moreno MM, Fajardo E, Fiser A, Ness J, Sarkar A, Toms SA, Tapinos N. Regulation of human glioma cell migration, tumor growth, and stemness gene expression using a Lck targeted inhibitor. Oncogene. 2019 Mar;38(10):1734-1750. doi: 10.1038/s41388-018-0546-z. Epub 2018 Oct 23. PMID: 30353164; PMCID: PMC6462869.