SAR7334 hydrochloride - ≥98%(HPLC) , CAS No.1333207-63-8

CAS: 1333207-63-8 Cat. No.: S286732 Formula: C₂₁H₂₄Cl₃N₃O Peso molecolare: 440.79 PubChem CID: 78357800

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-[[(1R,2R)-2-[(3R)-3-Amino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile dihydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

4-[[(1R,2R)-2-[(3R)-3-Amino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile dihydrochloride

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

Potent TRPC6 inhibitor (IC50values are 9.5, 226 and 282 nM for TRPC6, TRPC7 and TRPC3-mediated Ca2+influx). Exhibits no significant activity at TRPC4 and TRPC5 channels. Suppresses TRPC6-dependent acute hypoxic pulmonary vasoconstriction (HPV) in the iso

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%(HPLC)

Nomi e identificatori

Sorrisi canonici

C1CC(CN(C1)C2CC3=CC=CC=C3C2OC4=C(C=C(C=C4)C#N)Cl)N.Cl.Cl

IUPAC Name

4-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile;dihydrochloride

InChIKey

LFMYIKNZNTZSJX-IQJQELQDSA-N

INCHI

1S/C21H22ClN3O.2ClH/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25;;/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2;2*1H/t16-,19-,21-;;/m1../s1

Isomeri SMILES

C1C[C@H](CN(C1)[C@@H]2CC3=CC=CC=C3[C@H]2OC4=C(C=C(C=C4)C#N)Cl)N.Cl.Cl

PubChem CID

78357800

Peso molecolare

440.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Phenoxy compounds Phenol ethers Benzonitriles Chlorobenzenes Aralkylamines Aminopiperidines Alkyl aryl ethers Aryl chlorides Trialkylamines Nitriles Azacyclic compounds Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - 3-aminopiperidine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic oxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• 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

Obiettivi associati (umani)

U2OS (164939 Activities)

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HepG2 (196354 Activities)

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HEK-293T (167025 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:water, Max Conc. mg/mL: 44.08, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 44.08, Max Conc. mM: 100
• Peso molecolare: 440.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 439.098 Da
• Monoisotopic Mass: 439.098 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 535.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 1333207-63-8, the molecular formula is C21H24Cl3N3O, and the molecular weight is 440.79 g/mol. InChIKey LFMYIKNZNTZSJX-IQJQELQDSA-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.