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CFON-026

CAT: 0013-GTR19263590-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263590-02Size:10 mg
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Description
CFON-026 is a selective, orally active, non-covalent BTK inhibitor with an IC50 of 0.27 nM. It demonstrates significant antitumor activity against wild-type BTK (TMD8 and REC-1) as well as all clinically relevant BTK resistance mutations (BTKC481S, T474I, L528W, and V416L) . CFON-026 induces complete tumor regression in the TMD8 xenograft mouse model. This compound is applicable for research into hematologic cancers, such as chronic lymphocytic leukemia and Waldenström's macroglobulinemia.
CAS Number
2941611-57-8
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
NC=1C=2N3C ([C@]4 (C[C@] (NC (=O) CCCCC\C=C\C3=CN1) (CCC4) [H]) [H]) =NC2C5=CC=C (C (NC6=CC (C#N) =CC=N6) =O) C=C5
Molecular Formula
C33H34N8O2
Molecular Weight
574.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

US20250074911, Example 184
CAS Number2941611-57-8
PubChem CID168935282
IUPAC Name4-[(2R,6R,14E)-19-amino-8-oxo-7,18,22,23-tetrazatetracyclo[14.6.1.12,6.020,23]tetracosa-1(22),14,16,18,20-pentaen-21-yl]-N-(4-cyano-2-pyridinyl)benzamide
Molecular FormulaC33H34N8O2
Molecular Weight574.7
XLogP4.8
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count43
Formal Charge0
Complexity1050
SMILES
C1CC/C=C/C2=CN=C(C3=C(N=C(N23)[C@@H]4CCC[C@H](C4)NC(=O)CC1)C5=CC=C(C=C5)C(=O)NC6=NC=CC(=C6)C#N)N
InChI
InChI=1S/C33H34N8O2/c34-19-21-15-16-36-27(17-21)39-33(43)23-13-11-22(12-14-23)29-30-31(35)37-20-26-9-4-2-1-3-5-10-28(42)38-25-8-6-7-24(18-25)32(40-29)41(26)30/h4,9,11-17,20,24-25H,1-3,5-8,10,18H2,(H2,35,37)(H,38,42)(H,36,39,43)/b9-4+/t24-,25-/m1/s1
InChIKey
MSKNOSLTYZTISS-ZOTOWQMDSA-N
Chemical Structure
2D Structure
2D structure of US20250074911, Example 184
CAS: 2941611-57-8
CID: 168935282
Formula: C33H34N8O2
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass574.28047236
Monoisotopic Mass574.28047236
Topological Polar Surface Area151 Ų
Heavy Atom Count43
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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