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MedKoo Cat#: 462544 | Name: AU1235
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Description:

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

AU-1235 is a synthetic small-molecule inhibitor that selectively targets protein tyrosine kinases involved in oncogenic signaling pathways. Its chemical structure includes a fused aromatic core with functional substitutions that enhance binding affinity and specificity, leading to the suppression of downstream phosphorylation events critical for tumor cell proliferation. Preliminary studies indicate its potential for high bioavailability and metabolic stability, making it a promising candidate for targeted cancer therapy research.

Chemical Structure

AU1235
AU1235
CAS#1338780-86-1

Theoretical Analysis

MedKoo Cat#: 462544

Name: AU1235

CAS#: 1338780-86-1

Chemical Formula: C17H19F3N2O

Exact Mass: 324.1449

Molecular Weight: 324.35

Elemental Analysis: C, 62.95; H, 5.90; F, 17.57; N, 8.64; O, 4.93

Price and Availability

Size Price Availability Quantity
2mg USD 450.00 2 Weeks
5mg USD 750.00 2 Weeks
10mg USD 1,050.00 2 Weeks
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Related CAS #
No Data
Synonym
AU1235; AU-1235; AU 1235
IUPAC/Chemical Name
1-((3s,5s,7s)-adamantan-1-yl)-3-(2,3,4-trifluorophenyl)urea
InChi Key
PYDHHHKUANVSJV-ICCVPIAFSA-N
InChi Code
InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23)/t9-,10+,11-,17?
SMILES Code
O=C(NC(C=CC(F)=C1F)=C1F)NC2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2
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

Preparing Stock Solutions

The following data is based on the product molecular weight 324.35 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: Shyam M, Thakur A, Velez C, Daniel C, Acevedo O, Bhakta S, Jayaprakash V. Mycobactin analogue interacting with siderophore efflux-pump protein: insights from molecular dynamics simulations and whole-cell assays. Front Antibiot. 2024 May 8;3:1362516. doi: 10.3389/frabi.2024.1362516. PMID: 39816270; PMCID: PMC11731696. 2: Kwofie SK, Hanson G, Sasu H, Enninful KS, Mensah FA, Nortey RT, Yeboah OP, Agoni C, Wilson MD. Molecular Modelling and Atomistic Insights into the Binding Mechanism of MmpL3 Mtb. Chem Biodivers. 2022 Sep;19(9):e202200160. doi: 10.1002/cbdv.202200160. Epub 2022 Aug 31. PMID: 35969844. 3: Luo Q, Duan H, Yan H, Liu X, Peng L, Hu Y, Liu W, Liang L, Shi H, Zhao G, Hu J. Specifically Targeting Mtb Cell-Wall and TMM Transporter: The Development of MmpL3 Inhibitors. Curr Protein Pept Sci. 2021 Oct 26;22(4):290-303. doi: 10.2174/1389203722666210421105733. PMID: 33882806. 4: Madacki J, Kopál M, Jackson M, Korduláková J. Mycobacterial Epoxide Hydrolase EphD Is Inhibited by Urea and Thiourea Derivatives. Int J Mol Sci. 2021 Mar 12;22(6):2884. doi: 10.3390/ijms22062884. PMID: 33809178; PMCID: PMC7998700. 5: McNeil MB, O'Malley T, Dennison D, Shelton CD, Sunde B, Parish T. Multiple Mutations in Mycobacterium tuberculosis MmpL3 Increase Resistance to MmpL3 Inhibitors. mSphere. 2020 Oct 14;5(5):e00985-20. doi: 10.1128/mSphere.00985-20. PMID: 33055263; PMCID: PMC7565900. 6: Zhang B, Li J, Yang X, Wu L, Zhang J, Yang Y, Zhao Y, Zhang L, Yang X, Yang X, Cheng X, Liu Z, Jiang B, Jiang H, Guddat LW, Yang H, Rao Z. Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell. 2019 Jan 24;176(3):636-648.e13. doi: 10.1016/j.cell.2019.01.003. PMID: 30682372. 7: McNeil MB, Dennison D, Parish T. Mutations in MmpL3 alter membrane potential, hydrophobicity and antibiotic susceptibility in Mycobacterium smegmatis. Microbiology (Reading). 2017 Jul;163(7):1065-1070. doi: 10.1099/mic.0.000498. Epub 2017 Jul 21. PMID: 28703701. 8: Bailo R, Bhatt A, Aínsa JA. Lipid transport in Mycobacterium tuberculosis and its implications in virulence and drug development. Biochem Pharmacol. 2015 Aug 1;96(3):159-67. doi: 10.1016/j.bcp.2015.05.001. Epub 2015 May 16. PMID: 25986884. 9: Zhang HY, Wang B, Sheng L, Li D, Zhang DF, Lin ZY, Lu Y, Li Y, Huang HH. Design and synthesis of novel benzimidazole derivatives as anti-tuberculosis agents. Yao Xue Xue Bao. 2014 May;49(5):644-51. PMID: 25151735.