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Mcl-1 inhibitor 21

CAT: 0931-T204659-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204659-01Size:10 mg
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CAS Number
2155856-87-2
Target
Bcl-2 Family, Apoptosis
Related Pathways
Apoptosis
Bioactivity
Mcl-1 inhibitor21 (Example 1-36) is an Mcl-1 inhibitor with an IC50 of 328 nM. It exhibits pro-apoptotic and anti-proliferative activity against SUDHL5 and SUDHL10 cell lines, making it applicable for cancer research.
Smiles
O=C(O)C1=C(C=2C=CC=C3C=4C(=NN(C4C)C)COCCCCN1C32)CCCOC5=CC=CC=6C=CC=CC56
Molecular Formula
C32H33N3O4
Molecular Weight
523.622
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mcl-1 inhibitor 21
CAS Number2155856-87-2
PubChem CID132143435
IUPAC Name3,4-dimethyl-15-(3-naphthalen-1-yloxypropyl)-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,14,16(20),17-hexaene-14-carboxylic acid
Molecular FormulaC32H33N3O4
Molecular Weight523.6
XLogP5.8
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity827
SMILES
CC1=C2C(=NN1C)COCCCCN3C4=C(C=CC=C24)C(=C3C(=O)O)CCCOC5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C32H33N3O4/c1-21-29-26-14-8-13-24-25(15-9-19-39-28-16-7-11-22-10-3-4-12-23(22)28)31(32(36)37)35(30(24)26)17-5-6-18-38-20-27(29)33-34(21)2/h3-4,7-8,10-14,16H,5-6,9,15,17-20H2,1-2H3,(H,36,37)
InChIKey
MUAPGUVESOJQJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mcl-1 inhibitor 21
CAS: 2155856-87-2
CID: 132143435
Formula: C32H33N3O4
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass523.24710654
Monoisotopic Mass523.24710654
Topological Polar Surface Area78.5 Ų
Heavy Atom Count39
Formal Charge0
Complexity827
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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