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Cat. No.: HY-133015

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Mcl-1 inhibitor 3

Mcl-1 inhibitor 3 (compound 1) is a highly potent and orally activate macrocyclic Mcl-1 inhibitor (K_i= 0.061 nM; IC₅₀=19 nM in an OPM-2 cell viability assay). Mcl-1 inhibitor 3 shows good pharmacokinetic properties and excellent in vivo efficacy without toxicity.
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For research use only. We do not sell to patients.

CAS No.: 2376774-73-9
Formula: C₄₀H₅₂ClF₂N₅O₇S
Molecular Weight:820.38

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (280 KB)

Mcl-1 inhibitor 3 Chemical Structure

CAS No.: 2376774-73-9

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target

Mcl-1

19 nM (IC₅₀)

Mcl-1

0.061 nM (Ki)

All Bcl-2 Family Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
OPM-2	IC₅₀	19 nM Compound: 1	Antiproliferative activity against human OPM2 cells assessed as reduction in cell viability after 16 hrs by CellTiter-Glo based luminescence assay Antiproliferative activity against human OPM2 cells assessed as reduction in cell viability after 16 hrs by CellTiter-Glo based luminescence assay	[PMID: 31736296]

In Vitro

Mcl-1 inhibitor 3 shows an IC₅₀ value of 19 nM in an OPM-2 cell viability assay, and a K_i value of 0.061 nM in Mcl-1 HTRF/TR-FRET assay^[1].

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

In Vivo

Mcl-1 inhibitor 3 (oral administration; 3, 10, or 30 mg/kg; 6 hours) causes a significant loss of luminescence (∼40%) over vehicle at 30 mg/kg,This effect was observed with unbound drug levels in plasma, the [plasma]_u/OPM-2 IC₅₀ values are 0.24, 0.93 and 3.65 μM in 3, 10, 30 mg/kg doses,respectively^[1].
Mcl-1 inhibitor 3 (oral administration; 10, 30, or 60 mg/kg; 6 hours) activates Bak by 8-fold at 30 mg/kg and by 14-fold at 60 mg/kg in this OPM-2 Luc assay,this test is based on the detection of activated Bak in nude mice subcutaneously injected with via electrochemiluminescence.^[1].
Mcl-1 inhibitor 3 (oral administration; 10, 30, or 60 mg/kg; 30 days) led to a robust dose-dependent tumor growth inhibition at 30 mg/kg (44% TGI) and 34% tumor regression when the animals were dosed at 60 mg/kg.Lastly, no body weight loss is observed in any of the mice in this study efficacy models^[1].

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

Animal Model:

Nude miceinjected with HEK293 cells^[1]
Dosage:

3, 10, or 30 mg/kg
Administration:

Oral administration
Result:

Showed a disruption of the Mcl-1/Bak interaction in this in vivo model.

Animal Model:

Nude mice injected with human OPM-2 multiple myeloma tumor cells^[1]
Dosage:

10, 30, or 60 mg/kg
Administration:

Oral administration
Result:

Exhibited a inhibition of tumor growth without any toxicity.

Chemical Information

CAS No. 2376774-73-9
Molecular Weight 820.38
Formula C₄₀H₅₂ClF₂N₅O₇S
SMILES

ClC1=CC(CCC2)=C(C=C1)[C@]2(CO3)CN(C[C@H]4[C@@H](CC4)[C@@H](OCCN5CC(F)(F)C5)/C=C/CCN(C)C6=O)C7=C3C=CC([C@@](O)(C(NS(=O)(N(C)C)=O)=O)C6)=C7
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (280 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)

References

[1]. Rescourio G, Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an α-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.J Med Chem. 2019 Nov 27;62(22):10258-10271. [Content Brief]

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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.

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Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References

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Mcl-1 inhibitor 3

All Bcl-2 Family Isoforms

Biological Activity

Chemical Information

Purity & Documentation

References

Calculators

Help & FAQs

Mcl-1 inhibitor 3 Related Classifications

HY-133015 Related Classifications