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A-1210477

CAT: 0013-GTR19173656-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173656-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A-1210477 is a potent and selective small molecule dual inhibitor of MCL-1 and Bcl-2, with a Ki of 0.454 nM and an IC50 of 26.2 nM. It is widely used in cancer research, particularly in studies of apoptosis, for both in vitro cellular assays and in vivo xenograft models to investigate hematological malignancies.
CAS Number
1668553-26-1
Product Name Alternative
Apoptosis, Bcl-2 Family, A 1210477, A1210477, A-1210477, inhibit, Inhibitor, Mcl-1
Field of Research
Cell Biology
Purity
98.89% (May vary between batches)
Solubility
DMSO:Insoluble; H2O:10 mM
Smiles
C (CN1CCOCC1) N2C3=C (C=CC=C3C (CCCOC=4C5=C (C=CC4) C=CC=C5) =C2C (O) =O) C6=C (COC7=CC=C (C=C7) N8CCN (S (N (C) C) (=O) =O) CC8) N (C) N=C6C
Molecular Formula
C46H55N7O7S
Molecular Weight
850.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A-1210477

an MCL-1 inhibitor; structure in first source

CAS Number1668553-26-1
PubChem CID66575373
IUPAC Name7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
Molecular FormulaC46H55N7O7S
Molecular Weight850.0
XLogP3.6
Topological Polar Surface Area143
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count61
Formal Charge0
Complexity1500
SMILES
CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C
InChI
InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
InChIKey
XMVAWGSQPHFXKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-1210477
CAS: 1668553-26-1
CID: 66575373
Formula: C46H55N7O7S
MW: 850.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight850.0
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass849.38836829
Monoisotopic Mass849.38836829
Topological Polar Surface Area143 Ų
Heavy Atom Count61
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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