| Size | Price | Stock | Qty |
|---|---|---|---|
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| Other Sizes |
Purity: ≥98%
| Targets |
CRT0036521 targets aldo-keto reductase family 1 member C3 (AKR1C3), also known as prostaglandin F synthase. It acts as a potent and selective inhibitor with an IC50 of 13 nM. It shows high selectivity for AKR1C3 over other AKR1C family members.
|
|---|---|
| ln Vitro |
AKR1C3-IN-1 exhibits a modest activity of 20.3±3.8 μM against AKR1C1 and >30 μM against AKR1C2 and AKR1C4. AKR1C3-IN-1 inhibits AKR1C3 activity (inhibits the production of PR-104H), with an IC50 of 0.027±0.002 μM[1].
CRT0036521 is a potent inhibitor of AKR1C3 with an IC50 of 13 nM. It is selective for AKR1C3 over AKR1C1, AKR1C2, and AKR1C4. By inhibiting AKR1C3, it modulates prostaglandin synthesis and steroid hormone metabolism. |
| ln Vivo |
In vivo activity data for CRT0036521 is limited. As a potent and selective AKR1C3 inhibitor, it is expected to have effects on prostaglandin synthesis and steroid hormone metabolism. The compound is used as a research tool to study the role of AKR1C3 in various diseases.
|
| Enzyme Assay |
CRT0036521 is evaluated in cell-free enzymatic assays using purified AKR1C3 enzyme. The compound is incubated with AKR1C3 and a substrate, and the inhibition of enzyme activity is measured. IC50 values are determined to quantify the potency of AKR1C3 inhibition. Selectivity is assessed by screening against other AKR1C family members.
|
| Cell Assay |
CRT0036521 is assessed in cell-based assays using cells expressing AKR1C3. Cells are treated with CRT0036521, and AKR1C3 activity is measured by assessing the conversion of substrates to products. The compound's effects on prostaglandin synthesis and steroid hormone metabolism are evaluated.
|
| Animal Protocol |
CRT0036521 is administered in animal models to evaluate its effects on AKR1C3-mediated pathways. However, specific animal study protocols are not extensively documented. The compound is typically formulated for in vivo administration using DMSO or other suitable vehicles.
|
| ADME/Pharmacokinetics |
CRT0036521 has a molecular weight of 317.36 and a molecular formula of C16H15NO4S. It has a CAS number of 327092-81-9. The compound is soluble in DMSO. It should be stored under recommended conditions.
|
| Toxicity/Toxicokinetics |
No detailed toxicity data is available for CRT0036521. The compound is for research use only and is not intended for human therapeutic use. It is a highly selective tool compound for AKR1C3 research.
|
| References | |
| Additional Infomation |
CRT0036521 is a potent, highly selective inhibitor of AKR1C3. It is also known as AKR1C3-IN-1 and SN33607. It is used as a pharmacological tool to study the role of AKR1C3 in various biological processes. It is not approved for clinical use.
|
| Molecular Formula |
C16H15NO4S
|
|---|---|
| Molecular Weight |
317.35
|
| Exact Mass |
317.072
|
| CAS # |
327092-81-9
|
| Related CAS # |
327092-81-9;
|
| PubChem CID |
712934
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
3.15
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
22
|
| Complexity |
513
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
ZGVIUMKHTXKKOX-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19) SMILES
|
| Chemical Name |
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
|
| Synonyms |
CRT0036521 CRT-0036521 CRT 0036521
|
| 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) |
DMSO : ≥ 100 mg/mL (~315.10 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.88 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 (7.88 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 is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1511 mL | 15.7555 mL | 31.5110 mL | |
| 5 mM | 0.6302 mL | 3.1511 mL | 6.3022 mL | |
| 10 mM | 0.3151 mL | 1.5755 mL | 3.1511 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
COA