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LN-439A

CAT: 0013-GTR19238943-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238943-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LN-439A is a small molecule BAP1 inhibitor that induces the degradation of the transcription factor KLF5. This mechanism suppresses the proliferation of basal-like breast cancer cells, supporting its use in both in vitro and in vivo oncology research models.
CAS Number
2991822-04-7
Field of Research
Cell Biology, Molecular Biology, Signal Transduction
Purity
99.90% (May vary between batches)
Smiles
O=C (NCCOCCO) C1=CC=CC2=C1NC3=C2CCN (C (=O) CC=4C=CC=CC4F) C3
Molecular Formula
C24H26FN3O4
Molecular Weight
439.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2-(2-fluorophenyl)acetyl]-N-[2-(2-hydroxyethoxy)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-8-carboxamide
CAS Number2991822-04-7
PubChem CID172652575
IUPAC Name2-[2-(2-fluorophenyl)acetyl]-N-[2-(2-hydroxyethoxy)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-8-carboxamide
Molecular FormulaC24H26FN3O4
Molecular Weight439.5
XLogP1.6
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity651
SMILES
C1CN(CC2=C1C3=C(N2)C(=CC=C3)C(=O)NCCOCCO)C(=O)CC4=CC=CC=C4F
InChI
InChI=1S/C24H26FN3O4/c25-20-7-2-1-4-16(20)14-22(30)28-10-8-17-18-5-3-6-19(23(18)27-21(17)15-28)24(31)26-9-12-32-13-11-29/h1-7,27,29H,8-15H2,(H,26,31)
InChIKey
WBXIHXDGOXMDCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-(2-fluorophenyl)acetyl]-N-[2-(2-hydroxyethoxy)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-8-carboxamide
CAS: 2991822-04-7
CID: 172652575
Formula: C24H26FN3O4
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass439.19073448
Monoisotopic Mass439.19073448
Topological Polar Surface Area94.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity651
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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