SIM1
Based on 1 publication(s) in Google Scholar
SIM1 is a potent von Hippel-Lindau (VHL)-based trivalent PROTAC capable of degradation for all BET family members, with preference for BRD2 degradation (IC50=1.1 nM; Kd=186 nM). SIM1 shows sustained anti-cancer activity.
For research use only. We do not sell to patients.
- Purity: 99.47%
- CAS No.: 2719051-84-8
- Formula: C79H98Cl2N14O13S3
- Molecular Weight:1618.81
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Storage:
-20°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Publications Citing Use of MedChemExpress (MCE) SIM1
MoreAll PROTACs Isoforms
More
Biological Activity
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BRD2 1.1 nM (IC50) |
BRD2 186 nM (Kd) |
BRD3 |
BRD4 |
SIM1 (1 nM; 30 hours; MV4-11 cells) results in measurable cellular death after 6 hours[1].
SIM1 (1 μM; 4 hours; HEK293 cells) degrades BET proteins[1].
SIM1 induces conformational changes upon binding to the BET protein to simultaneously engage with high avidity both its bromodomains in a cis intramolecular fashion. SIM1 engages BD1 and BD2 intramolecularly and forms a 1:1:1 ternary complex with VHL and BRD4[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 2719051-84-8
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Appearance Solid
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Molecular Weight 1618.81
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Formula C79H98Cl2N14O13S3
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Color White to light yellow
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SMILES
CC1=C(C(C(C2=CC=C(C=C2)Cl)=N[C@@H](CC(NCCOCCOCCOCC(C)(COCCOCCOCCNC(C[C@@H]3N=C(C4=C(N5C3=NN=C5C)SC(C)=C4C)C6=CC=C(C=C6)Cl)=O)COCC(N[C@H](C(N7[C@@H](C[C@H](C7)O)C(NCC8=CC=C(C=C8)C9=C(N=CS9)C)=O)=O)C(C)(C)C)=O)=O)C%10=NN=C(C)N%11%10)=C%11S1)C
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
-20°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
Publications (1)
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Journal Impact Factor
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Most Recent
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Nat Struct Mol Biol
2024 Feb;31(2):323-335. PMID: 38177676
Solvent & Solubility
DMSO : 100 mg/mL (61.77 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Purity & Documentation
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Data Sheet (273 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 0.6177 mL | 3.0887 mL | 6.1774 mL | 15.4434 mL |
| 5 mM | 0.1235 mL | 0.6177 mL | 1.2355 mL | 3.0887 mL | |
| 10 mM | 0.0618 mL | 0.3089 mL | 0.6177 mL | 1.5443 mL | |
| 15 mM | 0.0412 mL | 0.2059 mL | 0.4118 mL | 1.0296 mL | |
| 20 mM | 0.0309 mL | 0.1544 mL | 0.3089 mL | 0.7722 mL | |
| 25 mM | 0.0247 mL | 0.1235 mL | 0.2471 mL | 0.6177 mL | |
| 30 mM | 0.0206 mL | 0.1030 mL | 0.2059 mL | 0.5148 mL | |
| 40 mM | 0.0154 mL | 0.0772 mL | 0.1544 mL | 0.3861 mL | |
| 50 mM | 0.0124 mL | 0.0618 mL | 0.1235 mL | 0.3089 mL | |
| 60 mM | 0.0103 mL | 0.0515 mL | 0.1030 mL | 0.2574 mL |
SIM1 Related Classifications
HY-141438 Related Classifications
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