ABT-100 (ABT100) is a novel and potent farnesyltransferase inhibitor with a broad-spectrum antitumor activity. ABT-100 inhibits cancer cell proliferation with IC50s of 2.2 nM, 3.8 nM, 5.9 nM, 6.9 nM, 9.2 nM, 70 nM and 818 nM for EJ-1, DLD-1, MDA-MB-231, HCT-116, MiaPaCa-2, PC-3, and DU-145 cells, respectively.. It also increases apoptosis and decreases angiogenesis
Physicochemical Properties
| Molecular Formula | C27H19F3N4O3 |
| Molecular Weight | 504.46 |
| Exact Mass | 504.141 |
| Elemental Analysis | C, 64.28; H, 3.80; F, 11.30; N, 11.11; O, 9.51 |
| CAS # | 450839-40-4 |
| Related CAS # | 852926-14-8 (HCl) 450839-40-4 |
| PubChem CID | 6451154 |
| Appearance | white solid powder |
| Density | 1.29g/cm3 |
| Boiling Point | 722ºC at 760 mmHg |
| Flash Point | 390.5ºC |
| Index of Refraction | 1.589 |
| LogP | 5.043 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 37 |
| Complexity | 854 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | FC(OC1C([H])=C([H])C(=C([H])C=1[H])C1C([H])=C(C#N)C([H])=C([H])C=1OC([H])([H])[C@](C1C([H])=C([H])C(C#N)=C([H])C=1[H])(C1=C([H])N=C([H])N1C([H])([H])[H])O[H])(F)F |
| InChi Key | HEUVRFNVTLGKMZ-SANMLTNESA-N |
| InChi Code | InChI=1S/C27H19F3N4O3/c1-34-17-33-15-25(34)26(35,21-7-2-18(13-31)3-8-21)16-36-24-11-4-19(14-32)12-23(24)20-5-9-22(10-6-20)37-27(28,29)30/h2-12,15,17,35H,16H2,1H3/t26-/m0/s1 |
| Chemical Name | (S)-6-(2-(4-cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imidazol-5-yl)ethoxy)-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carbonitrile |
| Synonyms | A367074 ABT-100A-367074ABT100A 367074 ABT 100 |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | In human pancreatic system, ABT-100 (0.1-100 nM; 7 days; EJ-1, DLD-1, MDA-MB-231, HCT-116, MiaPaCa-2, PC-3, and DU-145 cells) therapy exhibits dose-cycle growth inhibition. At doses similar to ABT-100 cytokine attachment staining proliferation, cytokine colonies can also form [1]. |
| ln Vivo | The model's EJ-1 tumors shrank as a result of ABT-100 (6.25–12.5 mg/kg/day; subcutaneous injection; daily; for 21 days; CB-17 scid model) treatment [1]. |
| Cell Assay |
Cell Proliferation Analysis[1] Cell Types: EJ-1, DLD-1, MDA -MB-231, HCT-116, MiaPaCa-2, PC-3 and DU-145 Cell Tested Concentrations: 0.1-100 nM Incubation Duration: 7 days Experimental Results: Demonstrated dose-dependent growth inhibition on human cancer cell lines. |
| Animal Protocol |
Animal/Disease Models: CB-17 scid male mice with EJ-1 cells [1] Doses: 6.25 mg/kg/day, 12.5 mg/kg/day Route of Administration: subcutaneous injection; daily; continued for 21 days Experimental Results: CB EJ-1 tumor regression in -17 scid male mice. |
| References |
[1]. Antitumor activity of orally bioavailable farnesyltransferase inhibitor, ABT-100, is mediated by antiproliferative, proapoptotic, and antiangiogenic effects in xenograft models. Clin Cancer Res. 2005 Apr 15;11(8):3045-54. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~99.12 mM) |
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9823 mL | 9.9116 mL | 19.8232 mL | |
| 5 mM | 0.3965 mL | 1.9823 mL | 3.9646 mL | |
| 10 mM | 0.1982 mL | 0.9912 mL | 1.9823 mL |