1. PROTAC Epigenetics
  2. PROTACs Epigenetic Reader Domain
  3. SIM1

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.

SIM1 Chemical Structure

SIM1 Chemical Structure

CAS No. : 2719051-84-8

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10 mg USD 620 In-stock
25 mg USD 1250 In-stock
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Based on 1 publication(s) in Google Scholar

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1 Publications Citing Use of MCE SIM1

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Description

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[1].

IC50 & Target

BRD2

1.1 nM (IC50)

BRD2

186 nM (Kd)

BRD3

 

BRD4

 

In Vitro

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.

Cell Viability Assay[1]

Cell Line: MV4-11 cells
Concentration: 1 nM
Incubation Time: 30 hours
Result: Resulted in measurable cellular death after 6 hours.

Western Blot Analysis[1]

Cell Line: HEK293 cells
Concentration: 1 µM
Incubation Time: 4 hours
Result: Degraded BET proteins.
Molecular Weight

1618.81

Formula

C79H98Cl2N14O13S3

CAS No.
Appearance

Solid

Color

White to light yellow

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

Shipping

Room temperature in continental US; may vary elsewhere.

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)

Solvent & Solubility
In Vitro: 

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)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 0.6177 mL 3.0887 mL 6.1774 mL
5 mM 0.1235 mL 0.6177 mL 1.2355 mL
View the 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.

  • Molarity Calculator

  • Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass
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Concentration
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Volume
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Molecular Weight *

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

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Volume (final)

V2

In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

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mg/kg

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g

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(per animal)

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Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Calculation results:
Working solution concentration: mg/mL
Purity & Documentation

Purity: 99.72%

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
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SIM1 Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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Product Name:
SIM1
Cat. No.:
HY-141438
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