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Defactinib (hydrochloride)

CAT: 0804-HY-12289A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12289A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Defactinib hydrochloride (VS-6063 hydrochloride; PF 04554878 hydrochloride) is a novel FAK inhibitor, which inhibits FAK phosphorylation at the Tyr397 site in a time- and dose-dependent manner.
CAS Number
1073160-26-5
Product Name Alternative
VS-6063 hydrochloride; PF 04554878 hydrochloride
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
FAK
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/defactinib-hydrochloride.html
Purity
99.35
Solubility
DMSO : 6.67 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL
Smiles
O=C(NC)C1=CC=C(NC2=NC=C(C(F)(F)F)C(NCC3=NC=CN=C3N(C)S(=O)(C)=O)=N2)C=C1.[H]Cl
Molecular Formula
C20H22ClF3N8O3S
Molecular Weight
546.95
Precautions
H302, H315, H319, H335
References & Citations
[1]Kang Y, et al. Role of focal adhesion kinase in regulating YB-1-mediated resistance in ovarian cancer. J Natl Cancer Inst. 2013 Oct 2;105 (19) :1485-95.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Citation 01
Bioact Mater. 2021 Jul 1:8:109-123.|Bioact Mater. 2021 Jun 1:7:364-376.|bioRxiv. 2023 Oct 23:2023.03.01.530599.|bioRxiv. 2025 Jul 26:2025.07.22.666009.|Cell Mol Gastroenterol Hepatol. 2025 May 29:101548.|Mater Sci Eng C Mater Biol Appl. 2020 Jan;106:110221.|Mol Biomed. 2025 Nov 24;6 (1) :116.|Mol Metab. 2023 Apr:70:101698.|Research Square Preprint. 2020 Jun.|Research Square Preprint. 2021 Aug.|ACS Appl Mater Interfaces. 2024 Oct 16;16 (41) :55130-55141.|ACS Nano. 2023 Jan 4;17 (2) :1036-1053.|Atherosclerosis. 2025 Apr 8:404:119190.|Biochem Biophys Res Commun. 2024 Sep 17:725:150236.|bioRxiv. 2024 November 26.|bioRxiv. 2025 May 19:2025.05.15.654389.|Bone. 2022 Jan:154:116231.|Cancer Commun (Lond) . 2024 Oct;44 (10) :1106-1129.|Cancer Sci. 2025 Aug 13.|Cell Death Dis. 2021 Sep 23;12 (10) :868.|Cell Mol Gastroenterol Hepatol. 2021;11 (3) :683-696.|Cell Signal. 2025 Jun 17:111946.|Clin Breast Cancer. 2024 Jun;24 (4) :e244-e257.e1.|EMBO J. 2025 Mar;44 (5) :1464-1487.|Exp Cell Res. 2021 Nov 15;408 (2) :112868.|Exp Ther Med. 2020 Aug;20 (2) :1405-1414.|Front Oncol. 2022 Apr 28;12:851065.|Heliyon.2024 Aug 6;10 (16) :e35727.|J Exp Clin Cancer Res. 2018 Jul 28;37 (1) :175.|J Exp Clin Cancer Res. 2022 Sep 16;41 (1) :275.|J Int Med Res. 2018 Apr;46 (4) :1311-1325. |J Orthop Transl. 2020 May 19;24:12-22.|J Transl Med. 2023 Sep 19;21 (1) :640.|Mol Carcinog. 2024 Jan;63 (1) :173-189.|Nat Commun. 2023 Apr 29;14 (1) :2478.|Nat Commun. 2025 Sep 29;16 (1) :8541.|Nat Commun. 2019 Aug 16;10 (1) :3708. |Oncogene. 2023 Apr;42 (15) :1166-1180.|Oncogene. 2024 Sep;43 (39) :2951-2969.|Oncol Res. 2024 Mar 20;32 (4) :679-690.|Phytomedicine. 2022 Oct:105:154349.|Placenta. 2024 Aug 21:156:30-37.|PLoS One. 2024 Nov 1;19 (11) :e0308647.|Research Square Print. September 13th, 2022.|Sci Data. 2024 Sep 19;11 (1) :1024.|Sci Rep. 2019 May 20;9 (1) :7617.|Sci Rep. 2025 May 6;15 (1) :15780.|Science. 2017 Dec 1;358 (6367) :eaan4368.|University of Otago. 2025 Oct 7.|University of Zürich. Department of Dermatology. 2021 Dec.

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

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A4651-10Defactinib hydrochloride
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A22003-50Defactinib hydrochloride 50mg
A22003-25Defactinib hydrochloride 25mg
A22003-10Defactinib hydrochloride 10mg
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