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Vactosertib (Hydrochloride)

CAT: 0804-HY-19928A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19928A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vactosertib Hydrochloride (EW-7197 Hydrochloride) is a potent, orally active and ATP-competitive activin receptor-like kinase 5 (ALK5) inhibitor with an IC50 of 12.9 nM. Vactosertib Hydrochloride also inhibits ALK2 and ALK4 (IC50 of 17.3 nM) at nanomolar concentrations. Vactosertib Hydrochloride has potently antimetastatic activity and anticancer effect[1][2].
CAS Number
1352610-25-3
Product Name Alternative
EW-7197 (Hydrochloride) ; TEW-7197 (Hydrochloride)
UNSPSC
12352005
Hazard Statement
H302, H315, H319
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_Hydrochloride.html
Purity
99.32
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1=CC=CC(C2=C(C3=CN4C(C=C3)=NC=N4)NC(CNC5=CC=CC=C5F)=N2)=N1.Cl
Molecular Formula
C22H19ClFN7
Molecular Weight
435.88
Precautions
H302, H315, H319
References & Citations
[1]Son JY, et al. EW-7197, a novel ALK-5 kinase inhibitor, potently inhibits breast to lung metastasis. Mol Cancer Ther. 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
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
ALK5

Chemical Information

Vactosertib Hydrochloride
CAS Number1352610-25-3
PubChem CID54766014
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;hydrochloride
Molecular FormulaC22H19ClFN7
Molecular Weight435.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity566
SMILES
CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4.Cl
InChI
InChI=1S/C22H18FN7.ClH/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);1H
InChIKey
UDRJLVATGDHMJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vactosertib Hydrochloride
CAS: 1352610-25-3
CID: 54766014
Formula: C22H19ClFN7
MW: 435.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass435.1374495
Monoisotopic Mass435.1374495
Topological Polar Surface Area83.8 Ų
Heavy Atom Count31
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CEC61025-01Vactosertib Hydrochloride
558278Vactosertib
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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