TP0427736 HCl - ≥98% , CAS No.864374-00-5

CAS: 864374-00-5 Cat. No.: T414122 Summenformel: C₁₄H₁₁ClN₄S₂ Molekulargewicht: 334.85 PubChem CID: 136105618

GRADE & PURITY ≥98%

Synonyms

6-​[5-​(4-​methyl-​2-​thiazolyl)​-​1H-​imidazol-​4-​yl]​-Benzothiazole hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

6-​[5-​(4-​methyl-​2-​thiazolyl)​-​1H-​imidazol-​4-​yl]​-Benzothiazole hydrochloride

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

TP0427736 is a potent inhibitor of ALK5 kinase activity with an IC50 of 2.72 nM and this effect is 300-fold higher than the inhibitory effect on ALK3 (IC50 = 836 nM for ALK3). It also inhibits Smad2/3 phosphorylation in A549 cells induced by TGF-β1 with a

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

ALogP

3.084

HBD-Zahl

1

Rotationsfähige Bindung

2

Namen und Kennungen

Pubchem Sid

504773460

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773460

Kanonisches Lächeln

CC1=CSC(=N1)C2=C(N=CN2)C3=CC4=C(C=C3)N=CS4

IUPAC Name

6-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole

InChIKey

LLFCXRYULHMNCG-UHFFFAOYSA-N

INCHI

1S/C14H10N4S2/c1-8-5-19-14(18-8)13-12(15-6-16-13)9-2-3-10-11(4-9)20-7-17-10/h2-7H,1H3,(H,15,16)

Isomere SMILES

CC1=CSC(=N1)C2=C(N=CN2)C3=CC4=C(C=C3)N=CS4

PubChem CID

136105618

Molekulargewicht

334.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: 2,4-disubstituted thiazoles Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - 2,4-disubstituted 1,3-thiazole - Benzenoid - Heteroaromatic compound - Thiazole - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: Not available

Data sources

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

Zugehörige Ziele (menschlich)

TGFBR1 Tchem TGF-beta receptor type-1 (2 Activities)

Discover Target: TGFBR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TGFBR1 Tchem TGF-beta receptor type I (3786 Activities)

Discover Target: TGFBR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 67 mg/mL (200.08 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 67
• DMSO (mM) Maximale Löslichkeit: 200.089592354786
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 298.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 298.035 Da
• Monoisotopic Mass: 298.035 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 356.000
• 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: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 864374-00-5, the molecular formula is C14H11ClN4S2, and the molecular weight is 334.85 g/mol. InChIKey LLFCXRYULHMNCG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.