Art. -Nr.: HY-156568

SMD-3040

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SMD-3040 is a potent and selective SMARCA2 PROTAC degrader (DC₅₀: 12 nM; D_max: 91%). SMD-3040 can inhibit tumor cell proliferation and exhibits antitumor activity. SMD-3040 can be used in the study of tumors such as melanoma.
(Pink: SMARCA2 ligand (HY-171765); Blue: VHL ligand (HY-112078); Black: linker).

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Reinheit: 99.91%
CAS. Nr.: 3033109-92-8
Formel: C₅₂H₆₆N₁₀O₅S
Molecular Weight:943.21

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

SMD-3040 Chemical Structure

CAS. Nr.: 3033109-92-8

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Biologische Aktivität
- Beschreibung
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

SMD-3040 is a potent and selective SMARCA2 PROTAC degrader (DC₅₀: 12 nM; D_max: 91%). SMD-3040 can inhibit tumor cell proliferation and exhibits antitumor activity. SMD-3040 can be used in the study of tumors such as melanoma^[1]. (Pink: SMARCA2 ligand (HY-171765); Blue: VHL ligand (HY-112078); Black: linker).

Alle PROTACs Isoform-spezifische Produkte anzeigen :

Alle SWI/SNF Complex Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	GI₅₀	42 nM Compound: 29; SMD-3040	Antiproliferative activity against SMARCA4-deficient human A549 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against SMARCA4-deficient human A549 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
NCI-H1299	GI₅₀	>10 μM Compound: 29; SMD-3040	Antiproliferative activity against SMARCA4-deficient human NCI-H1299 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against SMARCA4-deficient human NCI-H1299 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
NCI-H1693	GI₅₀	15 nM Compound: 29; SMD-3040	Antiproliferative activity against SMARCA4-deficient human NCI-H1693 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against SMARCA4-deficient human NCI-H1693 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
NCI-H1792	GI₅₀	>10 nM Compound: 29; SMD-3040	Antiproliferative activity against human NCI-H1792 cells expressing wild-type SMARCA2 assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against human NCI-H1792 cells expressing wild-type SMARCA2 assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
NCI-H1793	GI₅₀	21 nM Compound: 29; SMD-3040	Antiproliferative activity against SMARCA4-deficient human NCI-H1793 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against SMARCA4-deficient human NCI-H1793 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
NCI-H1944	GI₅₀	30 nM Compound: 29; SMD-3040	Antiproliferative activity against SMARCA4-deficient human NCI-H1944 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against SMARCA4-deficient human NCI-H1944 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
NCI-H1975	GI₅₀	>10 μM Compound: 29; SMD-3040	Antiproliferative activity against human NCI-H1975 cells expressing wild-type SMARCA2 assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against human NCI-H1975 cells expressing wild-type SMARCA2 assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
NCI-H647	GI₅₀	3.1 μM Compound: 29; SMD-3040	Antiproliferative activity against human NCI-H647 cells expressing wild-type SMARCA2 assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against human NCI-H647 cells expressing wild-type SMARCA2 assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
NCI-H838	GI₅₀	119 nM Compound: 29; SMD-3040	Antiproliferative activity against SMARCA4-deficient human NCI-H838 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against SMARCA4-deficient human NCI-H838 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
SK-MEL-28	GI₅₀	>10 μM Compound: 29; SMD-3040	Antiproliferative activity against human SK-MEL-28 cells expressing wild-type SMARCA2 assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against human SK-MEL-28 cells expressing wild-type SMARCA2 assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]
SK-MEL-5	GI₅₀	15 nM Compound: 29; SMD-3040	Antiproliferative activity against SMARCA4-deficient human SK-MEL-5 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay Antiproliferative activity against SMARCA4-deficient human SK-MEL-5 cells assessed as cell growth inhibition measured after 7 days by WST-8 assay	[PMID: 37523716]

In Vitro

SMD-3040 (0-1 μM; 1-48 h) can effectively degrade SMARCA2 in cells such as Hela, SK-Mel-5 and SK-Mel-28^[1].
SMD-3040 (7 days) significantly inhibits cell growth in SMARCA4-deficient cancer cell lines (such as SK-Mel-5, H838, A549, etc.) with GI₅₀ of 8.8-119 nM^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Western Blot Analysis^[1]

Cell Line:

SK-Mel-5 and SK-Mel-28 cells
Concentration:

0.01, 0.03, 0.1, 0.3, 1, 3, 10, 30, 100, 300 and 1000 nM
Incubation Time:

24 h
Result:

Inhibited the level of SMARCA2.
Had DC₅₀ values of 20 and 35 nM in K-Mel-5 and SK-Mel-28 cells.

In Vivo

SMD-3040 (25-50 mg/kg; intravenous injection; twice weekly; two weeks) exhibits antitumor activity in a xenograft mouse model of human melanoma^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

Xenograft mouse models treated SK-Mel-5 melanoma cell line carrying SMARCA4 gene deletion^[1]
Dosage:

25 and 50 mg/kg
Administration:

Intravenous injection; twice weekly; two weeks
Result:

Effectively inhibited tumor growth in two different smarca4-deficient xenograft models.
Was well-tolerated in mice.

Chemical Information

CAS. Nr. 3033109-92-8
Appearance Solid
Molecular Weight 943.21
Formel C₅₂H₆₆N₁₀O₅S
Color White to off-white
SMILES

O=C(N[C@H](C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)C(C)(C)C)[C@H]4CC[C@H](CN5CC6(CCC(N7N=CC(C8=C(N)N=NC(C9=C(O)C=CC=C9)=C8)=C7)CC6)C5)CC4
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : ≥ 100 mg/mL (106.02 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

* "≥" means soluble, but saturation unknown.

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

1.0602 mL

5.3010 mL

10.6021 mL

5 mM

0.2120 mL

1.0602 mL

2.1204 mL

10 mM

0.1060 mL

0.5301 mL

1.0602 mL

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. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (271 KB)
SDS (254 KB)
- English - EN (254 KB)
- Français - FR (254 KB)
- Deutsch - DE (254 KB)
- Norwegian - NO (254 KB)
- Español - ES (254 KB)
- Swedish - SV (254 KB)
- Italian - IT (254 KB)
- Korean - KR (254 KB)
- Portuguese - PT (254 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[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. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. 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	1.0602 mL	5.3010 mL	10.6021 mL	26.5052 mL
	5 mM	0.2120 mL	1.0602 mL	2.1204 mL	5.3010 mL
	10 mM	0.1060 mL	0.5301 mL	1.0602 mL	2.6505 mL
	15 mM	0.0707 mL	0.3534 mL	0.7068 mL	1.7670 mL
	20 mM	0.0530 mL	0.2651 mL	0.5301 mL	1.3253 mL
	25 mM	0.0424 mL	0.2120 mL	0.4241 mL	1.0602 mL
	30 mM	0.0353 mL	0.1767 mL	0.3534 mL	0.8835 mL
	40 mM	0.0265 mL	0.1325 mL	0.2651 mL	0.6626 mL
	50 mM	0.0212 mL	0.1060 mL	0.2120 mL	0.5301 mL
	60 mM	0.0177 mL	0.0884 mL	0.1767 mL	0.4418 mL
	80 mM	0.0133 mL	0.0663 mL	0.1325 mL	0.3313 mL
	100 mM	0.0106 mL	0.0530 mL	0.1060 mL	0.2651 mL

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SMD-3040

PROTAC Library

MCE Bioactive Compound Library

Alle PROTACs Isoform-spezifische Produkte anzeigen

Alle SWI/SNF Complex Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

SMD-3040

PROTAC Library

MCE Bioactive Compound Library

Alle PROTACs Isoform-spezifische Produkte anzeigen

Alle SWI/SNF Complex Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

SMD-3040 Related Classifications

HY-156568 Related Classifications