Dihidrocloruro de telenzepina - ≥98%(HPLC) , CAS No.147416-96-4

CAS: 147416-96-4 Cat. No.: T287790 Peso molecular: 443.39 PubChem CID: 6419995

GRADE & PURITY ≥98%(HPLC)

Synonyms

DTXSID10423564 | J-008354 | T-122 | Prestwick_649 | SR-01000075349-1 | 10H-Thieno[3,4-b][1,5]benzodiazepin-10-one, 4,9-dihydro-3-methyl-4-[2-(4-methyl-1-piperazinyl)acetyl]-, hydrochloride (1:2) | SK-871 | SR-01000075349-3 | Telenzepine hydrochloride | HM

Storage

Conservar a 2-8°C,Desecado

Shipped In

Hielo húmedo

Specifications

Sinónimos

DTXSID10423564 | J-008354 | T-122 | Prestwick_649 | SR-01000075349-1 | 10H-Thieno[3, 4-b][1, 5]benzodiazepin-10-one, 4, 9-dihydro-3-methyl-4-[2-(4-methyl-1-piperazinyl)acetyl]-, hydrochloride (1:2) | SK-871 | SR-01000075349-3 | Telenzepine hydrochloride | HM

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Antagonista selectivo de alta afinidad del receptor muscarínico M1 (Ki= 0, 94 nM). Inhibe la secreción ácida gástrica.

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Desecado

Enviado en

Hielo húmedo

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504764120
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764120
• Sonrisas canónicas: CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C.Cl.Cl
• IUPAC Name: 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one;dihydrochloride
• InChIKey: JTQJFSQQHGPLOX-UHFFFAOYSA-N
• INCHI: 1S/C19H22N4O2S.2ClH/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22;;/h3-6,12H,7-11H2,1-2H3,(H,20,25);2*1H
• Isómeros SMILES: CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C.Cl.Cl
• PubChem CID: 6419995
• Peso molecular: 443.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodiazepines
• Alternative Parents: Alpha amino acids and derivatives Thienodiazepines N-piperazineacetamides 1,4-diazepines N-methylpiperazines Benzenoids Vinylogous amides Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodiazepine - Alpha-amino acid or derivatives - N-piperazineacetamide - Thieno-para-diazepine - Para-diazepine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Thiophene - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
• 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

Objetivos asociados (humanos)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

Discover Target: RUNX1

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 44.34, Max Conc. mM: 100
• Peso molecular: 443.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 442.1 Da
• Monoisotopic Mass: 442.1 Da
• Topological Polar Surface Area: 84.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 552.000
• 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: 3

XLogP3