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| 5mg |
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| 10mg |
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| 25mg |
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Purity: ≥98%
ASTX660 is a novel and orally bioavailable, non-peptidomimetic antagonist of both X chromosome-linked inhibitor of apoptosis protein (XIAP) and cellular IAP 1 (cIAP1), with potential antineoplastic and pro-apoptoticctivities. Upon administration, XIAP/cIAP1 antagonist ASTX660 selectively binds to and inhibits the activity of XIAP and cIAP1. This restores and promotes the induction of apoptotic signaling pathways in cancer cells, and inactivates the nuclear factor-kappa B (NF-kB)-mediated survival pathway. XIAP and cIAP1 are overexpressed by many cancer cell types and suppress apoptosis by inhibiting the activity of certain caspases; they promote both cancer cell survival and chemotherapy resistance.
| ln Vitro |
Patients with advanced solid tumors and lymphomas are presently enrolled in single-agent Phase 1/2 clinical trials for tolinapant, an orally bioavailable dual cIAP and XIAP antagonist. Tolinapant was applied in vitro to 21 triple-negative breast cancer (TNBC) cell lines, and it was discovered that 43% of them were susceptible to the drug [1].
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| ln Vivo |
Tolinapant, an oral medication taken once a day, moderately inhibited tumor growth in mice HCC1806 xenografts but did not cause regression [1].
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| References | |
| Additional Infomation |
ASTX660 is under investigation in clinical trial NCT02503423 (Phase 1-2 Study of ASTX660 in Subjects With Advanced Solid Tumors and Lymphomas).
Tolinapant is an orally bioavailable, non-peptidomimetic antagonist of both X chromosome-linked inhibitor of apoptosis protein (XIAP) and cellular IAP 1 (cIAP1), with potential antineoplastic and pro-apoptotic activities. Upon administration, tolinapant selectively binds to and inhibits the activity of XIAP and cIAP1. This restores and promotes the induction of apoptotic signaling pathways in cancer cells, and inactivates the nuclear factor-kappa B (NF-kB)-mediated survival pathway. XIAP and cIAP1 are overexpressed by many cancer cell types and suppress apoptosis by inhibiting the activity of certain caspases; they promote both cancer cell survival and chemotherapy resistance. |
| Molecular Formula |
C30H42FN5O3
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|---|---|
| Molecular Weight |
539.6846
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| Exact Mass |
539.327
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| CAS # |
1799328-86-1
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| Related CAS # |
1799328-86-1;1799328-50-9 (HCl);1799328-90-7 (mesylate);1799328-88-3 (sulfate);
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| PubChem CID |
118169620
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| Appearance |
White to off-white solid powder
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| LogP |
2.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
39
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| Complexity |
824
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| Defined Atom Stereocenter Count |
3
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| SMILES |
C[C@@H]1CN([C@H](CN1)CN2CCOC[C@H]2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C
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| InChi Key |
YCXOHEXZVKOGEV-DNRQZRRGSA-N
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| InChi Code |
InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1
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| Chemical Name |
1-(6-(4-fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((R)-3-methylmorpholino)methyl)piperazin-1-yl)ethan-1-one
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| Synonyms |
ASTX660 ASTX-660 ASTX 660.
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~185.29 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.63 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.63 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.63 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8529 mL | 9.2647 mL | 18.5295 mL | |
| 5 mM | 0.3706 mL | 1.8529 mL | 3.7059 mL | |
| 10 mM | 0.1853 mL | 0.9265 mL | 1.8529 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT05082259 | RECRUITING | Drug: ASTX660 Drug: Pembrolizumab |
Advanced Cancer Cervical Cancer Triple Negative Breast Cancer |
Institute of Cancer Research, United Kingdom | 2022-03-02 | Phase 1 |
| NCT04411030 | COMPLETED | Drug: ASTX660 Drug: Midazolam Drug: Itraconazole |
Healthy Volunteer | Astex Pharmaceuticals, Inc. | 2020-05-20 | Phase 1 |
| NCT05912075 | RECRUITING | Drug: mFOLFIRINOX Radiation: Pelvic radiotherapy LCRT Drug: Capecitabine |
Locally-advanced Rectal Cancer | Gustave Roussy, Cancer Campus, Grand Paris | 2023-12-19 | Phase 1 |
| NCT04155580 | TERMINATED | Drug: ASTX660 Drug: ASTX727 |
Acute Myeloid Leukemia | Astex Pharmaceuticals, Inc. | 2020-06-12 | Phase 1 |
| NCT04479800 | COMPLETED | Drug: ASTX660 | Healthy Volunteer | Astex Pharmaceuticals, Inc. | 2020-07-20 | Phase 1 |
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