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Vactosertib

CAT: 0931-T6496-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T6496-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1352608-82-2
Target
ALK, TGF-beta/Smad
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Stem Cells
Purity
0.9981
Bioactivity
Vactosertib (EW-7197) is an orally bioavailable inhibitor of the serine/threonine kinase, transforming growth factor (TGF) -beta receptor type 1 (TGFBR1), also known as activin receptor-like kinase 5 (ALK5), with potential antineoplastic activity.
Smiles
Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Molecular Formula
C22H18FN7
Molecular Weight
399.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
HY-19928A-01Vactosertib (Hydrochloride)
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

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