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Murizatoclax

CAT: 0804-HY-109184-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-109184-01Size:100 µg
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Description
Murizatoclax (AMG 397) is a potent, selective and orally active inhibitor of myeloid leukemia 1 (MCL-1) inhibitor, with a Ki of 15 pM. Murizatoclax competitive binds to the BH3-binding groove of MCL1 with pro-apoptotic BCL-2 family members. Murizatoclax can be used for the research of cancer[1][2].
CAS Number
2245848-05-7
Product Name Alternative
AMG 397
UNSPSC
12352005
Target
Bcl-2 Family
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/murizatoclax.html
Purity
98.84
Solubility
DMSO : 10 mg/mL (ultrasonic)
Smiles
O=C(C(C=C1)=CC2=C1OC[C@]3(CCCC4=C3C=CC(Cl)=C4)CN2C[C@@]5([H])[C@](CC5)([H])[C@](CN6C[C@](CCCC7)([H])N7CC6)(OC)/C=C/C[C@H](C)[C@H]8C)NS8(=O)=O
Molecular Formula
C42H57ClN4O5S
Molecular Weight
765.44
References & Citations
[1]Wang H, et, al. Targeting MCL-1 in cancer: current status and perspectives. J Hematol Oncol. 2021 Apr 21;14 (1) :67.|[2]Caenepeel S, et al. Abstract 6218: discovery and preclinical evaluation of AMG 397, a potent, selective and orally bioavailable MCL1 inhibitor. Cancer Res. 2020;80 (16 Supplement) :6218.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
Mcl-1

Chemical Information

Murizatoclax

Murizatoclax is an inhibitor of induced myeloid leukemia cell differentiation protein (myeloid cell leukemia-1; Mcl-1; Bcl2-L-3), with potential pro-apoptotic and antineoplastic activities. Upon administration, murizatoclax targets and binds to Mcl-1, thereby preventing the binding of Mcl-1 to and inactivation of certain pro-apoptotic proteins. This promotes apoptosis of cells overexpressing Mcl-1. Mcl-1, an anti-apoptotic protein belonging to the B-cell lymphoma 2 (Bcl-2) family of proteins, is upregulated in cancer cells and promotes tumor cell survival.

CAS Number2245848-05-7
PubChem CID138669688
IUPAC Name(3'R,4S,6'R,7'R,8'E,11'S,12'R)-7'-[[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
Molecular FormulaC42H57ClN4O5S
Molecular Weight765.4
XLogP7.3
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count53
Formal Charge0
Complexity1440
SMILES
C[C@H]1C/C=C/[C@@]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)[C@@H]1C)(CN7CCN8CCCC[C@@H]8C7)OC
InChI
InChI=1S/C42H57ClN4O5S/c1-29-8-6-18-42(51-3,27-45-20-21-46-19-5-4-10-35(46)25-45)37-14-11-33(37)24-47-26-41(17-7-9-31-22-34(43)13-15-36(31)41)28-52-39-16-12-32(23-38(39)47)40(48)44-53(49,50)30(29)2/h6,12-13,15-16,18,22-23,29-30,33,35,37H,4-5,7-11,14,17,19-21,24-28H2,1-3H3,(H,44,48)/b18-6+/t29-,30+,33-,35+,37+,41-,42-/m0/s1
InChIKey
BJTFTQIBRVBSBH-VCQPVEJUSA-N
Chemical Structure
2D Structure
2D structure of Murizatoclax
CAS: 2245848-05-7
CID: 138669688
Formula: C42H57ClN4O5S
MW: 765.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight765.4
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass764.3738198
Monoisotopic Mass764.3738198
Topological Polar Surface Area99.8 Ų
Heavy Atom Count53
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19202157-01Murizatoclax

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