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LBW242

CAT: 0931-T15723-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T15723-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
867324-12-7
Target
Others, FLT, IAP
Related Pathways
Apoptosis, Angiogenesis, Tyrosine Kinase/Adaptors, Others
Bioactivity
LBW242 is a 3-mer and Smac mimetic and is an effective and orally active proapoptotic IAP inhibitor. LBW242 has activity against multiple myeloma and potentiates TRAIL- and anticancer drug-mediated cell death of ovarian cancer cells. LBW242 displays effects on mutant FLT3-expressing cells.
Smiles
C([C@@H](NC([C@@H](NC)C)=O)[C@H]1CCCCC1)(=O)N2[C@]3([C@@](CC2)(CCN(CCC4=CC=CC=C4)C3)[H])[H]
Molecular Formula
C27H42N4O2
Molecular Weight
454.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NG5DD6UA5D
CAS Number867324-12-7
PubChem CID11503417
IUPAC Name(2S)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
Molecular FormulaC27H42N4O2
Molecular Weight454.6
XLogP4.1
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity644
SMILES
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=CC=C4)NC
InChI
InChI=1S/C27H42N4O2/c1-20(28-2)26(32)29-25(23-11-7-4-8-12-23)27(33)31-18-15-22-14-17-30(19-24(22)31)16-13-21-9-5-3-6-10-21/h3,5-6,9-10,20,22-25,28H,4,7-8,11-19H2,1-2H3,(H,29,32)/t20-,22+,24+,25-/m0/s1
InChIKey
HCSMRSHIIKPNAK-LSAVBLLPSA-N
Chemical Structure
2D Structure
2D structure of NG5DD6UA5D
CAS: 867324-12-7
CID: 11503417
Formula: C27H42N4O2
MW: 454.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass454.33077660
Monoisotopic Mass454.33077660
Topological Polar Surface Area64.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-15519LBW242

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