![N-[(6S)-6-Carboxy-6-(glycylamino)hexanoyl]-D-alanyl-D-alanine](/upload/1124/V60148.png)
| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
SAICAR synthase
|
|---|---|
| ln Vitro |
- Enzyme inhibition activity: The compound competitively binds to the active site of SAICAR synthase, inhibiting the biosynthesis of SAICAR (5-aminoimidazole-4-carboxamide ribonucleotide) and disrupting the de novo purine nucleotide synthesis pathway.
- Cell proliferation inhibition: In human colon cancer cell line HCT116, the compound suppressed cell proliferation in a dose-dependent manner with an IC₅₀ of 1.2 μM. |
| Enzyme Assay |
- SAICAR synthase activity assay:
1. Recombinant SAICAR synthase was preincubated with varying concentrations of the compound in buffer (50 mM Tris-HCl, pH 7.5, 10 mM MgCl₂, 1 mM DTT) for 30 minutes. 2. The reaction was initiated by adding substrates 5-aminoimidazole-4-carboxamide ribonucleotide (AICAR) and ATP, followed by incubation at 37°C for 60 minutes. 3. After termination, SAICAR production was quantified by HPLC to determine inhibition rates. |
| Cell Assay |
- MTT cell viability assay:
1. HCT116 cells (5×10³ cells/well) were seeded in 96-well plates and cultured for 24 hours. 2. The compound (0.1–10 μM) was added, and cells were incubated for an additional 72 hours. 3. MTT solution (0.5 mg/mL) was added, and formazan crystals were dissolved after 4 hours. Absorbance was measured at 570 nm to calculate cell viability. |
| References |
[1]. Guang PW, et, al. Compounds affecting saicar synthesis, and applications. WO2018059214.
|
| Additional Infomation |
Mechanism of action: This compound disrupts the energy metabolism and DNA replication of tumor cells by inhibiting the rate-limiting step of purine synthesis, inducing cell cycle arrest in the S phase. - Patent scope: Includes the compound, its pharmaceutically acceptable salts, prodrugs, and formulations for the treatment of cancer, autoimmune diseases, and viral infections.
|
| Molecular Formula |
C15H26N4O7
|
|---|---|
| Molecular Weight |
374.39
|
| Exact Mass |
374.18
|
| CAS # |
306748-45-8
|
| PubChem CID |
168441331
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
-6.5
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
26
|
| Complexity |
552
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
C[C@H](C(=O)O)NC(=O)[C@@H](C)N(C(=O)CCCC[C@@H](C(=O)O)N)C(=O)CN
|
| InChi Key |
OMRBEOKVIPPVRT-BBBLOLIVSA-N
|
| InChi Code |
InChI=1S/C15H26N4O7/c1-8(14(23)24)18-13(22)9(2)19(12(21)7-16)11(20)6-4-3-5-10(17)15(25)26/h8-10H,3-7,16-17H2,1-2H3,(H,18,22)(H,23,24)(H,25,26)/t8-,9-,10+/m1/s1
|
| Chemical Name |
(2S)-2-amino-7-[(2-aminoacetyl)-[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
|
| 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 | 2.6710 mL | 13.3551 mL | 26.7101 mL | |
| 5 mM | 0.5342 mL | 2.6710 mL | 5.3420 mL | |
| 10 mM | 0.2671 mL | 1.3355 mL | 2.6710 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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