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MCL-1/BCL-2-IN-3

CAT: 0013-GTR19205447-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205447-01Size:2 mg
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Description
MCL-1/BCL-2-IN-3 is a potent dual inhibitor targeting both Mcl-1 and Bcl-2 proteins, exhibiting IC50 values of 5.95 μM and 4.78 μM, respectively. This small molecule is a valuable research tool for investigating apoptosis mechanisms and has been utilized in both in vitro and in vivo studies exploring cancer therapeutics.
CAS Number
2163793-55-1
Field of Research
Cell Biology
Smiles
COC (=O) CCCCC (=O) NCCN1C (=O) c2cccc3c (Sc4ccc (Br) cc4) ccc (C1=O) c23
Molecular Formula
C27H25BrN2O5S
Molecular Weight
569.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mcl-1/bcl-2-IN-3
CAS Number2163793-55-1
PubChem CID145712377
IUPAC Namemethyl 6-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethylamino]-6-oxohexanoate
Molecular FormulaC27H25BrN2O5S
Molecular Weight569.5
XLogP4.7
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity818
SMILES
COC(=O)CCCCC(=O)NCCN1C(=O)C2=C3C(=C(C=C2)SC4=CC=C(C=C4)Br)C=CC=C3C1=O
InChI
InChI=1S/C27H25BrN2O5S/c1-35-24(32)8-3-2-7-23(31)29-15-16-30-26(33)20-6-4-5-19-22(14-13-21(25(19)20)27(30)34)36-18-11-9-17(28)10-12-18/h4-6,9-14H,2-3,7-8,15-16H2,1H3,(H,29,31)
InChIKey
HZZXWFWVQWMGAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mcl-1/bcl-2-IN-3
CAS: 2163793-55-1
CID: 145712377
Formula: C27H25BrN2O5S
MW: 569.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass568.06676
Monoisotopic Mass568.06676
Topological Polar Surface Area118 Ų
Heavy Atom Count36
Formal Charge0
Complexity818
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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Alternative Products

CatalogName
HY-129701-01MCL-1/BCL-2-IN-3
MBS5805618Bcl-2/Mcl-1-IN-3
A18385-2MCL-1/BCL-2-IN-3 2mg
A18385-100MCL-1/BCL-2-IN-3 100mg
A18385-50MCL-1/BCL-2-IN-3 50mg
A18385-25MCL-1/BCL-2-IN-3 25mg
A18385-10MCL-1/BCL-2-IN-3 10mg
A18385-5MCL-1/BCL-2-IN-3 5mg
A18385-1MCL-1/BCL-2-IN-3 1mg
HY-129700-01MCL-1/BCL-2-IN-2

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