| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
CDK2/cyclin E1 1.16 nM (Ki) GSK3β 537.81 nM (Ki); Tagtociclib (PF-07104091) is a novel, orally bioavailable inhibitor of cyclin-dependent kinase 2 (CDK2). It exhibits high selectivity for CDK2 over other kinases, including approximately 100-fold selectivity over CDK1, 200 to 400-fold selectivity over CDK4 and CDK6, 170-fold selectivity over CDK9, and more than 500-fold selectivity over GSK3B .
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| ln Vitro |
PF-07104091 hydrate (Example 13) inhibits CDK1/cyclin A2, CDK4/cyclin D1, CDK6/cyclin D3 and CDK9, with Kis of 110, 238, 465 and 117 nM, respectively[1].
Tagtociclib inhibits CDK2 activity, which is a serine/threonine kinase important for cell cycle progression. CDK2 complexes with cyclin E (regulating the G1-S phase transition and Rb phosphorylation) and cyclin A (regulating DNA synthesis in S phase and activating CDK1/cyclin B for the G2-M transition). By selectively targeting and binding to CDK2, Tagtociclib can lead to cell cycle arrest, induction of apoptosis, and inhibition of tumor cell proliferation . |
| ln Vivo |
In preclinical studies, Tagtociclib as a single agent demonstrated dose-dependent tumor growth reduction in an ovarian cancer model, with a maximal effect of 86% on tumor growth inhibition. It also showed single-agent efficacy in multiple ovarian models. Furthermore, it has been shown to restore cell-cycle control in cancer types that are unresponsive to CDK4/6 inhibitors, suggesting potential for treating cyclin E-amplified cancers .
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| ADME/Pharmacokinetics |
Tagtociclib is a drug with high oral bioavailability. Its calculated LogP value is 1.2. It is soluble in DMSO (approximately 81 mg/mL) and ethanol (approximately 41 mg/mL). For optimal efficacy, it is recommended to prepare the formulation fresh before administration.
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| References | |
| Additional Infomation |
Tagtociclib is currently under clinical investigation. A Phase I/IIa dose-escalation trial has been initiated, with the first patient receiving treatment in October 2020. The drug is being investigated for the treatment of cancers with cyclin E amplification and cancers resistant to CDK4/6 inhibitors.
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| Molecular Formula |
C19H30N6O5
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|---|---|
| Molecular Weight |
422.478703975677
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| Exact Mass |
404.47
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| CAS # |
2733575-91-0
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| Related CAS # |
2460249-19-6; 2733575-91-0
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| PubChem CID |
154616421
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
30
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| Complexity |
577
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O.COCC1C=C(C(NC2C=C([C@@H]3C[C@H](OC(NC(C)C)=O)CC3)NN=2)=O)N(C)N=1
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| InChi Key |
CFGMPDNYFGKCIR-DSHXVJGRSA-N
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| InChi Code |
InChI=1S/C19H28N6O4.H2O/c1-11(2)20-19(27)29-14-6-5-12(7-14)15-9-17(23-22-15)21-18(26)16-8-13(10-28-4)24-25(16)3;/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26);1H2/t12-,14+;/m0./s1
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| Chemical Name |
[(1R,3S)-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate;hydrate
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| Synonyms |
Tagtociclib (hydrate); Tagtociclib monohydrate; 2733575-91-0; (1R,3S)-3-[3-(y([3-(Methoxymethyl)-1-methyl-1H-pyrazol-5-yl]carbonyl)amino)-1H-pyrazol-5-yl]cyclopentyl propan-2-ylcarbamate monohydrate; Tagtociclib hydrate; PF-07104091 hydrate
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : 200 mg/mL (473.40 mM; with sonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (11.83 mM)(saturation unknown) in 10% DMSO 40% PEG300 5% Tween-80 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution This solution produces a clear solution of ≥ 5 mg/mL (saturation unknown).
For example, if 1 mL of working solution, add 100 μL of 50.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix well; then add 50 μL Tween-80 to the above system and mix well; then add 450 μL saline to make up 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: ≥ 5 mg/mL (11.83 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 This protocol will produce a clear solution of ≥ 5 mg/mL (saturation unknown). . For example, if 1 mL of working solution, add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD in saline and mix. *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. Solubility in Formulation 3: ≥ 5 mg/mL (11.83 mM)(saturation unknown) in 10% DMSO 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution, add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL corn oil and mix well. Take μL of DMSO stock solution and add μL. μL, mix well until clear, add μL Tween 80, mix well until clear, and add μL normal saline. Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear and transparent normal saline solution. If the continuous administration period exceeds half a month, please choose this solution with caution. Please ensure that the first step stock solution is dissolved to a clear state, and add co-solvents from left to right. You can use ultrasonic heating (ultrasonic cleaning instrument, recommended frequency 20-40 kHz), vortex blowing and other methods to assist dissolution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3670 mL | 11.8349 mL | 23.6698 mL | |
| 5 mM | 0.4734 mL | 2.3670 mL | 4.7340 mL | |
| 10 mM | 0.2367 mL | 1.1835 mL | 2.3670 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.
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