| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
The intermediate itself has no direct biological target. SMD-3040 contains SMARCA2/4-binding ligands, a linker, and VHL ligands, enabling it to recruit the E3 ubiquitin ligase complex for selective degradation of SMARCA2 while sparing SMARCA4. SMARCA2 (BRM) and SMARCA4 (BRG1) are ATPase subunits of the SWI/SNF chromatin remodeling complex.
|
|---|---|
| ln Vitro |
The intermediate itself has no direct in vitro activity. SMD-3040 has demonstrated potent antitumor activity in xenograft models through targeted degradation of SMARCA2. It selectively reduces SMARCA2 protein levels in cancer cells, leading to cell cycle arrest and apoptosis, particularly in SMARCA4-deficient tumors.
|
| ln Vivo |
The intermediate itself has no direct in vivo activity. SMD-3040 has demonstrated potent antitumor activity in xenograft models, with tumor growth inhibition observed. The molecular weight of SMD-3040 intermediate-2 is 389.92 g/mol, and its molecular formula is C21H28ClN3O2.
|
| Enzyme Assay |
As a chemical intermediate, SMD-3040 intermediate-2 is not used in biological assays. Quality control involves standard chemical analysis: HPLC for purity (typically ≥95-98%), LC-MS for molecular weight confirmation, and NMR for structural verification. These assays are strictly chemical in nature.
|
| Cell Assay |
Cell-based assays are not performed directly on this intermediate. For SMD-3040, typical protocols involve treating SMARCA4-deficient cancer cell lines (e.g., H1299, A549) with varying concentrations (1 nM to 10 uM) of SMD-3040 for 24-72 hours. Target degradation is assessed by Western blotting for SMARCA2 and SMARCA4, and cell viability is measured by MTT or CellTiter-Glo.
|
| Animal Protocol |
Animal studies are not conducted directly on this intermediate. For SMD-3040, typical xenograft protocols involve subcutaneous implantation of SMARCA4-deficient tumor cells into immunocompromised mice. When tumors reach ~100-200 mm3, SMD-3040 is administered intraperitoneally or intravenously (0.5-10 mg/kg), and tumor volume, body weight, and target degradation in tumor tissues are monitored.
|
| ADME/Pharmacokinetics |
No pharmacokinetic data is available for this intermediate. For PROTAC molecules like SMD-3040, PK properties (half-life, clearance, oral bioavailability) are important considerations but are not publicly available. Researchers may need to conduct their own PK studies for specific experimental contexts.
|
| Toxicity/Toxicokinetics |
No direct toxicity data is available for this intermediate. For SMD-3040, as a selective SMARCA2 degrader, its toxicity profile would be related to the essential functions of SMARCA2 in normal cells. Standard safety precautions should be taken when handling this research chemical.
|
| References |
[1]. Yang L, et.al. Discovery of SMD-3040 as a Potent and Selective SMARCA2 PROTAC Degrader with Strong in vivo Antitumor Activity. J Med Chem. 2023 Jul 31.
|
| Additional Infomation |
SMD-3040 intermediate-2 is a research-use chemical and not a pharmaceutical for human consumption. SMD-3040 is a PROTAC (proteolysis-targeting chimera) that selectively degrades SMARCA2 by recruiting the VHL E3 ubiquitin ligase. This compound is in preclinical development for the treatment of SMARCA4-deficient cancers, including non-small cell lung cancer. It is not approved for clinical use.
|
| Exact Mass |
389.187
|
|---|---|
| CAS # |
2632308-00-8
|
| PubChem CID |
156180602
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
27
|
| Complexity |
600
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1CC2(CCN(CC2)C(=O)OC(C)(C)C)CN1C3=CC(=C(C=C3)C#N)Cl
|
| InChi Key |
WXLUHNJCOLNWIB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C21H28ClN3O2/c1-15-12-21(7-9-24(10-8-21)19(26)27-20(2,3)4)14-25(15)17-6-5-16(13-23)18(22)11-17/h5-6,11,15H,7-10,12,14H2,1-4H3
|
| Chemical Name |
tert-butyl 2-(3-chloro-4-cyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate
|
| 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.) |
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
