Products for Research Use Only
RegisterLogin

Defactinib hydrochloride 25mg

CAT: 0628-A22003-25Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A22003-25Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1073160-26-5

Chemical Information

Defactinib hydrochloride

Defactinib Hydrochloride is the hydrochloride salt form of defactinib, an orally bioavailable, small-molecule focal adhesion kinase (FAK) inhibitor with potential antiangiogenic and antineoplastic activities. Defactinib inhibits FAK, which may prevent the integrin-mediated activation of several downstream signal transduction pathways, including those involving RAS/MEK/ERK and PI3K/Akt, thus inhibiting tumor cell migration, proliferation, survival, and tumor angiogenesis. The tyrosine kinase FAK, a signal transducer for integrins, is normally activated by binding to integrins in the extracellular matrix (ECM) but may be upregulated and constitutively activated in various tumor cell types.

CAS Number1073160-26-5
PubChem CID25117347
IUPAC NameN-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;hydrochloride
Molecular FormulaC20H22ClF3N8O3S
Molecular Weight547.0
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count36
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.Cl
InChI
InChI=1S/C20H21F3N8O3S.ClH/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);1H
InChIKey
RCHQNUQAHJNRBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Defactinib hydrochloride
CAS: 1073160-26-5
CID: 25117347
Formula: C20H22ClF3N8O3S
MW: 547.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass546.1176199
Monoisotopic Mass546.1176199
Topological Polar Surface Area150 Ų
Heavy Atom Count36
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 Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
A21958-25Defactinib 25mg
A22003-100Defactinib hydrochloride 100mg
A22003-50Defactinib hydrochloride 50mg
A22003-10Defactinib hydrochloride 10mg
A22003-5Defactinib hydrochloride 5mg
A22003-2Defactinib hydrochloride 2mg
A21958-100Defactinib 100mg
A21958-200Defactinib 200mg
A21958-50Defactinib 50mg
A21958-10Defactinib 10mg

Alternative Products

CatalogName
A4651-10Defactinib hydrochloride
HY-12289A-01Defactinib (hydrochloride)
HY-12289AR-01Defactinib (hydrochloride) (Standard)
B4800-5Defactinib

Popular Products