Products for Research Use Only

BI-3663

CAT: 0013-GTR19225889-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225889-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI-3663 is a potent and selective PROTAC degrader of PTK2/FAK, achieving degradation with an IC50 of 18 nM by recruiting cereblon E3 ligase. This molecule, derived from BI-4464 and pomalidomide, has demonstrated anti-cancer activity in cellular assays and is a valuable chemical probe for investigating FAK-dependent oncology and metastasis research.
CAS Number
2341740-84-7
Field of Research
Cardiovascular Research, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C (NCCOCCOCCOCCC (=O) NC1=CC=CC=2C (=O) N (C (=O) C12) C3C (=O) NC (=O) CC3) C4=CC=C (NC5=NC=C (C (=N5) OC6=CC=CC7=C6C (=O) CC7) C (F) (F) F) C (OC) =C4
Molecular Formula
C44H42F3N7O12
Molecular Weight
917.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-3-{2-[2-(2-{[3-methoxy-4-({4-[(3-oxo-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl}amino)phenyl]formamido}ethoxy)ethoxy]ethoxy}propanamide
CAS Number2341740-84-7
PubChem CID137628657
IUPAC NameN-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
Molecular FormulaC44H42F3N7O12
Molecular Weight917.8
XLogP2.9
Topological Polar Surface Area243
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count20
Heavy Atom Count66
Formal Charge0
Complexity1760
SMILES
COC1=C(C=CC(=C1)C(=O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C3=O)C4CCC(=O)NC4=O)NC5=NC=C(C(=N5)OC6=CC=CC7=C6C(=O)CC7)C(F)(F)F
InChI
InChI=1S/C44H42F3N7O12/c1-62-33-22-25(8-10-28(33)51-43-49-23-27(44(45,46)47)40(53-43)66-32-7-2-4-24-9-12-31(55)36(24)32)38(58)48-15-17-64-19-21-65-20-18-63-16-14-35(57)50-29-6-3-5-26-37(29)42(61)54(41(26)60)30-11-13-34(56)52-39(30)59/h2-8,10,22-23,30H,9,11-21H2,1H3,(H,48,58)(H,50,57)(H,49,51,53)(H,52,56,59)
InChIKey
ADTXLFJKQHYGPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-3-{2-[2-(2-{[3-methoxy-4-({4-[(3-oxo-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl}amino)phenyl]formamido}ethoxy)ethoxy]ethoxy}propanamide
CAS: 2341740-84-7
CID: 137628657
Formula: C44H42F3N7O12
MW: 917.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight917.8
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count20
Exact Mass917.28435429
Monoisotopic Mass917.28435429
Topological Polar Surface Area243 Ų
Heavy Atom Count66
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes