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Defactinib

CAT: 0607-B4800-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B4800-50Size:50 mg
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Description
FAK phosphorylation inhibitor
CAS Number
1073154-85-4
Product Name Alternative
N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
Field of Research
Tyrosine Kinase FAK
Purity
0.9867
Solubility
insoluble in EtOH; insoluble in H2O; ≥160.2 mg/mL in DMSO
Smiles
CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F
Molecular Formula
C20H21F3N8O3S
Molecular Weight
510.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Defactinib

Defactinib is a small molecule kinase inhibitor targeted against focal adhesion kinase (FAK) and proline-rich tyrosine kinase-2 (Pyk2), the two members of the FAK family of nonreceptor tyrosine kinases. FAK is important for the integrin-mediated activation of several downstream signal transduction pathways, including those involving RAS/MEK/ERK and PI3K/Akt, and its upregulation is a key resistance mechanism to MAPK inhibitors, facilitating tumor cell proliferation and survival in the absence of MAPK signaling. Defactinib was approved by the US FDA in May 2025 in a co-package alongside [avutometinib] (called Avmapki Fakzynja) for the treatment of recurrent KRAS-mutated low-grade serous ovarian cancer.

CAS Number1073154-85-4
PubChem CID25117126
IUPAC NameN-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
Molecular FormulaC20H21F3N8O3S
Molecular Weight510.5
XLogP1.4
Topological Polar Surface Area150
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity804
SMILES
CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F
InChI
InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
InChIKey
FWLMVFUGMHIOAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Defactinib
CAS: 1073154-85-4
CID: 25117126
Formula: C20H21F3N8O3S
MW: 510.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.5
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass510.14094222
Monoisotopic Mass510.14094222
Topological Polar Surface Area150 Ų
Heavy Atom Count35
Formal Charge0
Complexity804
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

Alternative Products

CatalogName
T1996-01Defactinib
206742Defactinib HCl
A21958-100Defactinib 100mg
A21958-25Defactinib 25mg
T15092-01Defactinib hydrochloride
HY-12289A-01Defactinib (hydrochloride)
A21958-200Defactinib 200mg
HY-12289R-01Defactinib (Standard)

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