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Vactosertib

CAT: 0804-HY-19928-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19928-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vactosertib (EW-7197) is a potent, orally active and ATP-competitive activin receptor-like kinase 5 (ALK5) inhibitor with an IC50 of 12.9 nM. Vactosertib also inhibits ALK2 and ALK4 (IC50 of 17.3 nM) at nanomolar concentrations. Vactosertib has potently antimetastatic activity and anticancer effect[1][2].
CAS Number
1352608-82-2
Product Name Alternative
EW-7197; TEW-7197
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
TGF-β Receptor
Type
Reference compound
Related Pathways
TGF-beta/Smad
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/EW-7197.html
Purity
99.53
Solubility
DMSO : 100 mg/mL (ultrasonic) |Ethanol : 100 mg/mL (ultrasonic)
Smiles
CC1=CC=CC(C2=C(C3=CN4C(C=C3)=NC=N4)NC(CNC5=CC=CC=C5F)=N2)=N1
Molecular Formula
C22H18FN7
Molecular Weight
399.42
Precautions
H302, H315, H319, H335
References & Citations
[1]Son JY et al. EW-7197, a novel ALK-5 kinase inhibitor, potently inhibits breast to lung metastasis, 2014 Jul, 13 (7) :1704-16.|[2]Naka K, et al. Novel oral transforming growth factor-β signaling inhibitor EW-7197 eradicates CML-initiating cells. Cancer Sci. 2016 Feb;107 (2) :140-8.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
ALK5

Chemical Information

Vactosertib

Vactosertib is under investigation in clinical trial NCT03724851 (Vactosertib in Combination With Pembrolizumab in Metastatic Colorectal or Gastric Cancer).

CAS Number1352608-82-2
PubChem CID54766013
IUPAC Name2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
Molecular FormulaC22H18FN7
Molecular Weight399.4
XLogP3.2
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity566
SMILES
CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4
InChI
InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
InChIKey
FJCDSQATIJKQKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vactosertib
CAS: 1352608-82-2
CID: 54766013
Formula: C22H18FN7
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass399.16077177
Monoisotopic Mass399.16077177
Topological Polar Surface Area83.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity566
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
558278Vactosertib
CEC61025-01Vactosertib Hydrochloride
565040Vactosertib HCl
S7530-5mgVactosertib (TEW-7197)
A14213-1000EW-7197 (Vactosertib) 1g
A14213-500EW-7197 (Vactosertib) 500mg
A14213-100EW-7197 (Vactosertib) 100mg
A14213-50EW-7197 (Vactosertib) 50mg
A14213-2EW-7197 (Vactosertib) 2mg
A14213-25EW-7197 (Vactosertib) 25mg

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