Cat. No.: HY-101533

AZD-5991

21 Cited Publications

Customer Review

Based on 21 publication(s) in Google Scholar

AZD-5991 is a potent and selective Mcl-1 inhibitor with an IC₅₀ of 0.7 nM in FRET assay and a K_d of 0.17 nM in surface plasmon resonance (SPR) assay.

For research use only. We do not sell to patients.

Purity: 99.79%
CAS No.: 2143061-81-6
Formula: C₃₅H₃₄ClN₅O₃S₂
Molecular Weight:672.26

Storage:

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

AZD-5991 Chemical Structure

CAS No.: 2143061-81-6

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Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Publications (21)
Solvent & Solubility
- In Vitro
- In Vivo
Protocol
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

Description

AZD-5991 is a potent and selective Mcl-1 inhibitor with an IC₅₀ of 0.7 nM in FRET assay and a K_d of 0.17 nM in surface plasmon resonance (SPR) assay^[1].

IC₅₀ & Target^[1]

Mcl-1

0.7 nM (IC₅₀)

Mcl-1

0.17 nM (Kd)

All Bcl-2 Family Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
AMO1	EC₅₀	22.9 nM Compound: AZD5991	Antiproliferative activity against human AMO1 cells assessed as reduction in cell viability Antiproliferative activity against human AMO1 cells assessed as reduction in cell viability	[PMID: 38597264]
K562	IC₅₀	29.6 μM Compound: 5; AZD5991	Antiproliferative activity against human K562 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay Antiproliferative activity against human K562 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay	[PMID: 34342996]
MOLP-8	EC₅₀	33 nM Compound: AZD5991	Antiproliferative activity against human MOLP8 cells assessed as reduction in cell viability incubated for 24 hrs by Celltiter-Glo reagent based assay Antiproliferative activity against human MOLP8 cells assessed as reduction in cell viability incubated for 24 hrs by Celltiter-Glo reagent based assay	[PMID: 38597264]
MV4-11	EC₅₀	24 nM Compound: AZD5991	Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability incubated for 24 hrs by Celltiter-Glo reagent based assay Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability incubated for 24 hrs by Celltiter-Glo reagent based assay	[PMID: 38597264]
MV4-11	EC₅₀	34.9 nM Compound: AZD5991	Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability	[PMID: 38597264]
MV4-11	IC₅₀	0.024 μM Compound: 5; AZD5991	Antiproliferative activity against human MV4-11 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay Antiproliferative activity against human MV4-11 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay	[PMID: 34342996]
NCI-H23	EC₅₀	190 nM Compound: AZD5991	Antiproliferative activity against human NCI-H23 cells assessed as reduction in cell viability incubated for 24 hrs by Celltiter-Glo reagent based assay Antiproliferative activity against human NCI-H23 cells assessed as reduction in cell viability incubated for 24 hrs by Celltiter-Glo reagent based assay	[PMID: 38597264]
NCI-H23	IC₅₀	0.19 μM Compound: 5; AZD5991	Antiproliferative activity against human NCI-H23 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay Antiproliferative activity against human NCI-H23 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay	[PMID: 34342996]
NCI-H929	EC₅₀	31.7 nM Compound: AZD5991	Antiproliferative activity against human NCI-H929 cells assessed as reduction in cell viability Antiproliferative activity against human NCI-H929 cells assessed as reduction in cell viability	[PMID: 38597264]
NCI-H929	IC₅₀	0.036 μM Compound: 5; AZD5991	Antiproliferative activity against human NCI-H929 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay Antiproliferative activity against human NCI-H929 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay	[PMID: 34342996]
SK-BR-3	IC₅₀	30 μM Compound: 5; AZD5991	Antiproliferative activity against human SK-BR-3 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay Antiproliferative activity against human SK-BR-3 cells assessed as decrease in cell viability measured after 72 hrs by MTT assay	[PMID: 34342996]

In Vitro

The selectivity of AZD-5991 is evaluated against pro-survival Bcl-2 family members using FRET assays. AZD-5991 is selective for Mcl-1 (IC₅₀ 0.72 nM, K_i=200 pM) vs. Bcl-2 (IC₅₀=20 μM, K_i=6.8 μM), Bcl-xL (IC₅₀=36 μM, K_i=18 μM), Bcl-w (IC₅₀=49 μM, K_i=25 μM), and Bfl-1 (IC₅₀=24 μM, K_i=12 μM). MOLP-8, MV4-11, and NCI-H23 cells are treated with AZD5991 (EC₅₀=0.033, 0.024, 0.19 μM, respectively).AZD5991 binds directly to Mcl-1 and induces rapid apoptosis in cancer cells, most notably myeloma and acute myeloid leukemia, by activating the Bak-dependent mitochondrial apoptotic pathway. AZD5991 reduces the levels of Mcl-1 protein in AZD5991-sensitive but not in AZD5991-resistant MM cell lines further supporting the notion that activation of caspases by AZD5991 reduces Mcl-1 protein levels in AZD5991-sensitive cell lines^[1].

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

In Vivo

A single intravenous (i.v.) dose of AZD5991 leads to a dose-dependent antitumor effect ranging from tumor growth inhibition (TGI) to tumor regression (TR). Ten days after treatment, AZD5991 shows 52% and 93% TGI (p<0.0001) at 10 and 30 mg/kg, respectively. At the same time point, AZD5991 at 60 mg/kg leads to 99% TR with no detectable tumors in 6 out of 7 mice, while complete TR is seen in 7 out of 7 mice in the 100 mg/kg dose group. AZD5991 also shows a dose-dependent duration of response with tumors in the 100 mg/kg group growing back later than those in the 60 mg/kg group. The magnitude of in vivo tumor efficacy is correlated with activation of caspase-3 in the tumor and concentration of AZD5991 in plasma. Treatment with AZD5991 was well tolerated at all dose levels with no significant body weight loss. A single dose of AZD5991 36 days after the first dose causes tumor regression in 4 out of 4 mice. In mice dosed with AZD5991 at 100 mg/kg on day 0 and day 1, tumors grow back later than those dosed with a single dose of AZD5991 at the same dose level^[1].

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

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS No. 2143061-81-6
Appearance Solid
Molecular Weight 672.26
Formula C₃₅H₃₄ClN₅O₃S₂
Color White to off-white
SMILES

O=C(O)C1=C(CCCOC2=C(C=CC=C3)C3=CC4=C2)C5=C(N1C)C(C6=C(C)N(C)N=C6CSCC7=NN(C)C(CS4)=C7)=C(Cl)C=C5
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Publications (21)

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Journal Impact Factor

Mol Cell

Anti-apoptotic MCL-1 promotes long-chain fatty acid oxidation through interaction with ACSL1. [Abstract]

2024 Apr 4;84(7):1338-1353.e8. PMID: 38503284

AZD-5991 purchased from MedChemExpress. Usage Cited in: Mol Cell. 2024 Apr 4;84(7):1338-1353.e8. [Abstract]

MCL-1 inhibitors AZD-5991 (500 nM) stabilized MCL-1, but repressed the ability of human MCL-1 to co-precipitate with ACSL1 and BIM in 293T cells.

AZD-5991 purchased from MedChemExpress. Usage Cited in: Mol Cell. 2024 Apr 4;84(7):1338-1353.e8. [Abstract]

MCL-1 inhibitors AZD-5991 (500 nM) significantly repressed the utilization of oleate-containing LDs in Mcl1F/F Rosa-ERCreT2 MEFs reconstituted with human MCL1.

AZD-5991 purchased from MedChemExpress. Usage Cited in: Mol Cell. 2024 Apr 4;84(7):1338-1353.e8. [Abstract]

MCL-1 inhibitor AZD-5991 (1 mM) disrupted BIM and ACSL1 interactions with MCL-1.
Nat Commun

Small round cell sarcoma tumoroid biobank reveals CIC::DUX4 sarcoma vulnerability to MCL-1 inhibition. [Abstract]

2025 Aug 21;16(1):7689. PMID: 40841360

AZD-5991 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 Aug 21;16(1):7689. [Abstract]

CDS tumoroids were highly sensitive to AZD-5991 (0.0001-10 μM).
Nat Commun

PIM2 inhibition promotes MCL1 dependency in plasma cells involving integrated stress response-driven NOXA expression. [Abstract]

2025 Jan 2;16(1):256. PMID: 39747141

AZD-5991 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 Jan 2;16(1):256. [Abstract]

Cell viability in MMCLs after treatment with AZD-5991 (0.0001-10 μM), with calculated IC₅₀ values.
Nat Commun

ABCC1 and glutathione metabolism limit the efficacy of BCL-2 inhibitors in acute myeloid leukemia. [Abstract]

2023 Sep 19;14(1):5709. PMID: 37726279
Blood Cancer J

Docirbrutinib is a pan-mutant BTK inhibitor and inhibits B-cell receptor signaling in chronic lymphocytic leukemia cells in preclinical and early clinical investigations. [Abstract]

2026 May 7;16(1):107. PMID: 42098067
Cell Death Dis

Inhibition of RNA polymerase II-activating CDK9 and CDK12/13, but not of cell cycle relevant CDKs, induces apoptosis by downregulating the short-lived Bcl-2 proteins Mcl1 and Bfl1/A1. [Abstract]

2026 May 27;17(1):512. PMID: 42204137
Cell Death Dis

CRISPR screen of venetoclax response-associated genes identifies transcription factor ZNF740 as a key functional regulator. [Abstract]

2024 Aug 27;15(8):627. PMID: 39191721
Cell Death Dis

Dual mTORC1/2 inhibition compromises cell defenses against exogenous stress potentiating Obatoclax-induced cytotoxicity in atypical teratoid/rhabdoid tumors. [Abstract]

2022 Apr 28;13(4):410. PMID: 35484114
Cell Death Dis

Dynamic BH3 profiling identifies active BH3 mimetic combinations in non-small cell lung cancer. [Abstract]

2021 Jul 27;12(8):741. PMID: 34315868
Apoptosis

c-Myc plays a critical role in the antileukemic activity of the Mcl-1-selective inhibitor AZD5991 in acute myeloid leukemia. [Abstract]

2022 Dec;27(11-12):913-928. PMID: 35943677
Biochem Pharmacol

Loss of cystathionine-β-synthase contributes to elevated OXPHOS, a vulnerability in Ara-C-resistant Myeloid Leukemia in Down syndrome. [Abstract]

2026 Feb 13:247:117815. PMID: 41692349
Cells

Inhibition of Mcl-1 Synergistically Enhances the Antileukemic Activity of Gilteritinib and MRX-2843 in Preclinical Models of FLT3-Mutated Acute Myeloid Leukemia. [Abstract]

2022 Sep 3;11(17):2752. PMID: 36078163
Int J Cancer

Co-targeting bromodomain and extra-terminal proteins and MCL1 induces synergistic cell death in melanoma. [Abstract]

2020 Oct 15;147(8):2176-2189. PMID: 32249419
Mol Oncol

Inhibition of CDK9 enhances AML cell death induced by combined venetoclax and azacitidine. [Abstract]

2025 Sep 16. PMID: 40955793
iScience

Developing therapeutic strategies to target MCL1 and BCLXL in lethal prostate cancer. [Abstract]

2025 Nov 10;28(12):113985. PMID: 41438049
bioRxiv

2026 Feb 20.
Res Sq

2025 Dec 18.
SSRN

2025 Oct 15.
bioRxiv

2025 February 13.
bioRxiv

PAIRWISE: Deep Learning-based Prediction of Effective Personalized Drug Combinations in Cancer. [Abstract]

2024 Nov 6:2024.11.04.621884. PMID: 39574568
Research Square Preprint

2023 Jul 10.

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL (371.88 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

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

1.4875 mL

7.4376 mL

14.8752 mL

5 mM

0.2975 mL

1.4875 mL

2.9750 mL

10 mM

0.1488 mL

0.7438 mL

1.4875 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, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.

Molarity Calculator

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

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

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

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.08 mg/mL (3.09 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: 2.08 mg/mL (3.09 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.08 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.08 mg/mL (3.09 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Protocol

Animal Administration^[1]

Mice and Rats^[1]
In mice, drugs (e.g., AZD5991; 10-100 mg/kg) are dosed intravenously in a volume of 5 mL/kg except for Venetoclax that is dosed orally in a volume of 10 mL/kg. One million MV4-11, five million MOLP-8, ten million NCI-H929 or five million OCI-AML3 cells are injected subcutaneously in the right flank of mice in a volume of 0.1 mL. In rats, AZD5991 (10-100 mg/kg) is dosed intravenously in a volume of 10 mL/kg. Ten million MV4-11 cells are injected subcutaneously in the right flank of rats in a volume of 0.1 mL. Tumor volumes (measured by caliper), animal body weight, and tumor condition are recorded twice weekly for the duration of the study. The tumor volume is calculated^[1].

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

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (287 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Portuguese - PT (393 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]. Tron AE, et al. Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun. 2018 Dec 17;9(1):5341. [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, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	1.4875 mL	7.4376 mL	14.8752 mL	37.1880 mL
	5 mM	0.2975 mL	1.4875 mL	2.9750 mL	7.4376 mL
	10 mM	0.1488 mL	0.7438 mL	1.4875 mL	3.7188 mL
	15 mM	0.0992 mL	0.4958 mL	0.9917 mL	2.4792 mL
	20 mM	0.0744 mL	0.3719 mL	0.7438 mL	1.8594 mL
	25 mM	0.0595 mL	0.2975 mL	0.5950 mL	1.4875 mL
	30 mM	0.0496 mL	0.2479 mL	0.4958 mL	1.2396 mL
	40 mM	0.0372 mL	0.1859 mL	0.3719 mL	0.9297 mL
	50 mM	0.0298 mL	0.1488 mL	0.2975 mL	0.7438 mL
	60 mM	0.0248 mL	0.1240 mL	0.2479 mL	0.6198 mL
	80 mM	0.0186 mL	0.0930 mL	0.1859 mL	0.4648 mL
	100 mM	0.0149 mL	0.0744 mL	0.1488 mL	0.3719 mL

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AZD-5991

Apoptosis Compound Library

Anti-Cancer Compound Library

Clinical Compound Library

Drug Repurposing Compound Library

Anti-Blood Cancer Compound Library

Mitochondria-Targeted Compound Library

Targeted Diversity Library

Highly Selective Inhibitors Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Mitophagy Compound Library

Bioactive Compound Library Max

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) AZD-5991

All Bcl-2 Family Isoforms

Biological Activity

Chemical Information

Publications (21)

Solvent & Solubility

Protocol

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

AZD-5991

Apoptosis Compound Library

Anti-Cancer Compound Library

Clinical Compound Library

Drug Repurposing Compound Library

Anti-Blood Cancer Compound Library

Mitochondria-Targeted Compound Library

Targeted Diversity Library

Highly Selective Inhibitors Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Mitophagy Compound Library

Bioactive Compound Library Max

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) AZD-5991

All Bcl-2 Family Isoforms

Biological Activity

Chemical Information

Publications (21)

Solvent & Solubility

Protocol

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

AZD-5991 Related Classifications

Cat. No.: HY-101533