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AZD5991 , CAS No.2143061-82-7, Inhibitor of MCL1 apoptosis regulator; BCL2 family member

Moligand™

CAS#: 2143061-82-7
PubChem CID: 131634760

Item Number

A607877

Grouped product items
SKU	Size	Availability	Price	Qty
A607877-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$922.90
A607877-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

MCL1 apoptosis regulator，BCL2 family member Inhibitor

Basic Description

Synonyms	AZD5991\|AZD-5991\|2143061-81-6\|UNII-E3T5XXY9HX\|AZD-5991 Racemate\|2143010-83-5\|2143061-82-7\|E3T5XXY9HX\|17-chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentazaheptacyclo[27.7.1.14,7.011,15.016,21.020,24.030,35]octatriaconta-1(36),4(38),6,11,1
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of MCL1 apoptosis regulator; BCL2 family member

Associated Targets

MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 2 Activities

Discover Target: MCL1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2 Tclin Apoptosis regulator Bcl-2 0 Activities

Discover Target: BCL2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2L1 Tchem Bcl-2-like protein 1 0 Activities

Discover Target: BCL2L1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2A1 Tchem Bcl-2-related protein A1 0 Activities

Discover Target: BCL2A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2L2 Tchem Bcl-2-like protein 2 0 Activities

Discover Target: BCL2L2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	17-chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentazaheptacyclo[27.7.1.14,7.011,15.016,21.020,24.030,35]octatriaconta-1(36),4(38),6,11,14,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid
INCHI	InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)
InChi Key	KBQCEQAXHPIRTF-UHFFFAOYSA-N
Canonical SMILES	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C
Isomeric SMILES	CC1=C2C(=NN1C)CSCC3=NN(C(=C3)CSC4=CC5=CC=CC=C5C(=C4)OCCCC6=C(N(C7=C6C=CC(=C27)Cl)C)C(=O)O)C
Alternate CAS	2143010-83-5,2143061-82-7
PubChem CID	131634760
MeSH Entry Terms	17-Chloro-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,22-pentaazaheptacyclo(27.7.1.14,7.011,15.016,21.020,24.030,35)octatriaconta-1(36),4(38),6,11,14,16,18,20,23,29(37),30(35),31,33-tridecaene-23-carboxylic acid;AZD5991

PubChem CID

CAS Registry No.

ChEMBL Ligand

RCSB PDB Ligand

References

1. Tron AE, Belmonte MA, Adam A, Aquila BM, Boise LH, Chiarparin E, Cidado J, Embrey KJ, Gangl E, Gibbons FD et al.. (2018) Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.. Nat Commun, 9 (1): (5341). [PMID:30559424]
2. Denis C, Sopková-de Oliveira Santos J, Bureau R, Voisin-Chiret AS. (2020) Hot-Spots of Mcl-1 Protein.. J Med Chem, 63 (3): (928-943). [PMID:31580668]

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