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Vactosertib Hydrochloride - 99%, high purity , CAS No.1352610-25-3

COA

Grade & Purity:

≥99%

Cas Number: 1352610-25-3
Molecular Weight: 435.88
PubChem CID: 54766014

In stock

Item Number

V648276

Grouped product items
SKU	Size	Availability	Price
V648276-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$90.90
V648276-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90
V648276-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$220.90
V648276-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$490.90
V648276-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$816.90
V648276-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,140.90

View related series

TGF-beta/Smad (303) TGF-β Receptor (70)

Basic Description

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Vactosertib Hydrochloride (EW-7197 Hydrochloride) is a potent, orally active and ATP-competitive activin receptor-like kinase 5 (ALK5) inhibitor with an IC 50 of 12.9 nM. Vactosertib Hydrochloride also inhibits ALK2 and ALK4 ( IC 50 of 17.3 nM) at nanomol
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Vactosertib Hydrochloride (EW-7197 Hydrochloride) is a potent, orally active and ATP-competitive activin receptor-like kinase 5 (ALK5) inhibitor with an IC 50 of 12.9 nM. Vactosertib Hydrochloride also inhibits ALK2 and ALK4 ( IC 50 of 17.3 nM) at nanomolar concentrations. Vactosertib Hydrochloride has potently antimetastatic activity and anticancer effect In Vitro Vactosertib (10-1000 nM; 30 minutes; 4T1 cells) treatment blocks the TGFβ-induced phosphorylation of Smad2 or Smad3 in a dose-dependent manner in 4T1 cells. Vactosertib suppresses the TGFβ-induced nuclear translocation of Smad2/3 in 4T1 cells and MCF10A cells. The IC 50 value of Vactosertib on pSmad3 in 4T1 cells is 10-30 nM. Vactosertib abrogates TGFb1-induced tumor cell migration and invasion. TGFβ1 downregulated the mRNA level of CDH1 and upregulated the mRNA levels of FN1, HMGA2 (high-mobility group AT-hook 2), SNAI1, and SNAI2 (Snail family zinc finger 1 and 2, respectively). Moreover, Vactosertib abolishes the TGFβ1-induced effects on genes related to epithelial-to-mesenchymal transition (EMT). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: 4T1 cells Concentration: 10 nM, 30 µM, 50 nM, 100 µM, 300 nM, 500 nM, 1000 nM Incubation Time: 30 minutes Result: Blocked the TGFb-induced phosphorylation of Smad2 or Smad3 in a dose-dependent manner. In Vivo Vactosertib (40 mg/kg; intraperitoneal injection; every other day; for 10 weeks; MMTV/c-Neu female mice) treatment inhibits Smad/TGFβ signaling, cell migration, invasion, and lung metastasis in MMTV/c-Neu mice . Vactosertib also inhibits the epithelial-to-mesenchymal transition (EMT) in both TGFβ-treated breast cancer cells and 4T1 orthotopic-grafted mice. Furthermore, Vactosertib enhances cytotoxic T lymphocyte activity in 4T1 orthotopic-grafted mice and increased the survival time of 4T1-Luc and 4T1 breast tumor-bearing mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Mammary tumor virus (MMTV)/c-Neu female mice (32-week-old) Dosage: 40 mg/kg Administration: Intraperitoneal injection; every other day; for 10 weeks Result: Inhibited Smad/TGFβ signaling, cell migration, invasion, and lung metastasis in MMTV/c-Neu mice. Form:Solid IC50& Target:ALK5 12.9 nM (IC 50 )

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Triazolopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Triazolopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Triazolopyridines
Alternative Parents	Phenylalkylamines Aniline and substituted anilines 2,4,5-trisubstituted imidazoles Secondary alkylarylamines Methylpyridines Fluorobenzenes Aryl fluorides Triazoles Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Organic anions
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Triazolopyridine - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - Aniline or substituted anilines - Phenylalkylamine - Halobenzene - Secondary aliphatic/aromatic amine - Fluorobenzene - Methylpyridine - Aralkylamine - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Pyridine - Aryl halide - Imidazole - 1,2,4-triazole - Azole - Heteroaromatic compound - Azacycle - Secondary amine - Organonitrogen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic anion - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;hydrochloride
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
Smiles	CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4.Cl
Isomeric SMILES	CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4.Cl
PubChem CID	54766014
Molecular Weight	435.88

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	H2O : 50 mg/mL (114.71 mM; Need ultrasonic) DMSO : 50 mg/mL (114.71 mM; Need ultrasonic)
Molecular Weight	435.900 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	435.137 Da
Monoisotopic Mass	435.137 Da
Topological Polar Surface Area	83.800 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	566.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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