| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ln Vitro |
NTQ1062 (compound 22b) (0-4 μM; 72 hours) exhibits antiproliferative action against a variety of cancer cell lines [1]. LNCap cells undergo apoptosis when exposed to NTQ1062 (2.5 μM; 72 hours) [1]. LNCap cells are arrested in the G0-G1 phase by NTQ1062 (0.2 μM; 24 hours) [1].
|
|---|---|
| ln Vivo |
Tumor suppressant effects are demonstrated by NTQ1062 (12.5, 25 and 50 mg/kg; oral; once daily for 18–21 days) [1]. The pharmacokinetic properties of NTQ1062 (IV 5 mg/kg, IG 10 mg/kg; single dosage) are favorable [1]. NTQ1062 (compound 22b) pharmacokinetic characteristics in male Sprague-Dawley rats [1]. Tmax (h) 2 t1/2 (ng/mL) 2.97 3.28 Cmax (ng/mL) 1691 705 AUC0-t (ng/mL·h) 1761 3877 AUC0 -∞ (ng/mL·h) 1801 3891 VSS (L/kg) 7.76 F (%) 110
|
| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: CAL-51, T-47D, COLO-704, TOV-21G, C-33A and RL-95-2 Cell Line Tested Concentrations: 0-4μM Incubation Duration: 72 hrs (hours) Experimental Results: Presented It has strong inhibitory effect on CAL-51, T-47D, COLO-704, TOV-21G, C-33A and RL-95-2 cell lines, with IC50<300 nM. Apoptosis analysis [1] Cell Types: LNCap Cell Tested Concentrations: 2.5 μM Incubation Duration: 72 h Experimental Results: The total number of apoptotic cells reached 38.97%, while the control group was only 3.95%. Cell cycle analysis [1] Cell Types: LNCap Cell Tested Concentrations: 0.2 μM Incubation Duration: 24 h Experimental Results: 82.42% of the cells were in the G0-G1 phase, and the number of cells in the S phase and G2-M phase was diminished. |
| Animal Protocol |
Animal/Disease Models: Male NCG mice (24-30 g; LNCap was inoculated subcutaneously (sc) (sc) in the right hind abdomen, density is 1×) 107 pcs cells/mL, 100 μL per mouse)[1]
Doses: 12.5, 25, and 50 mg/kg Route of Administration: Oral; one time/day for 18-21 days Experimental Results: Demonstrated dose-dependent tumor suppression, 12.5 The TGI at , 25 and 50 mg/kg were 58.4%, 84.1% and 95.5% respectively. |
| References |
| Molecular Formula |
C25H31CLN6O2
|
|---|---|
| Molecular Weight |
483.01
|
| Exact Mass |
482.219
|
| CAS # |
2459489-66-6
|
| PubChem CID |
154663238
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
2.6
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
34
|
| Complexity |
760
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
C[C@@H]1CC(=O)NC2=C1C(=NC=N2)N3CCN([C@H]4[C@@H]3C4)C(=O)[C@H](CNC(C)C)C5=CC=C(C=C5)Cl
|
| InChi Key |
RXNPEQZHMGFNAY-GEALJGNFSA-N
|
| InChi Code |
InChI=1S/C25H31ClN6O2/c1-14(2)27-12-18(16-4-6-17(26)7-5-16)25(34)32-9-8-31(19-11-20(19)32)24-22-15(3)10-21(33)30-23(22)28-13-29-24/h4-7,13-15,18-20,27H,8-12H2,1-3H3,(H,28,29,30,33)/t15-,18-,19+,20-/m1/s1
|
| Chemical Name |
(5R)-4-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
|
| 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 |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0704 mL | 10.3518 mL | 20.7035 mL | |
| 5 mM | 0.4141 mL | 2.0704 mL | 4.1407 mL | |
| 10 mM | 0.2070 mL | 1.0352 mL | 2.0704 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.
Link: https://clinicaltrials.gov/ct2/show/NCT07393321
Conditions:HR Positive/HER2 Negative Advanced or Metastatic Breast CancerLink: https://clinicaltrials.gov/ct2/show/NCT06172309
Conditions:Advanced Solid TumorsProducts are for research use only; We do not sell to patients
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