SAR7334 - Moligand™, ≥97% , Channel blocker of TRPC3;Channel blocker of TRPC6;Channel blocker of TRPC7, CAS No.1333210-07-3, Channel blocker of TRPC3;Channel blocker of TRPC6;Channel blocker of TRPC7

CAS: 1333210-07-3 Cat. No.: S413561 Fórmula: C₂₁H₂₂ClN₃O Peso molecular: 367.87 PubChem CID: 53378752

GRADE & PURITY Moligand™, ≥97%

Synonyms

Benzonitrile | 4-​[[(1R,​2R)​-​2-​[(3R)​-​3-​amino-​1-​piperidinyl]​-​2,​3-​dihydro-​1H-​inden-​1-​yl]​oxy]​-​3-​chloro | RCP6-IN-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

SAR7334 SAR7334 is a novel, highly potent and bioavailable inhibitor of TRPC6 channels.SAR7334 blocks TRPC6 currents with an IC50 of 7.9 nM in patch-clamp experiment.

Targets

TPRC6 (Cell-free assay) 7.9nM

In vitro

SAR7334 inhibits TRPC6, TRPC3 and TRPC7-mediated Ca(2+) influx into cells with IC50s of 9.5, 282 and 226 nM, whereas TRPC4 and TRPC5-mediated Ca(2+) entry was not affected..SAR7334 suppresses TRPC6-dependent acute HPV in isolated perfused lungs from mice.

In vivo

Pharmacokinetic studies of SAR7334 demonstrates that the compound was suitable for chronic oral administration. In an initial short-term study, SAR7334 does not change mean arterial pressure in spontaneously hypertensive rats (SHR).

Cell Research(from reference)

Cell lines：HEK cells 

Specifications

Sinónimos

Benzonitrile | 4-​[[(1R,​2R)​-​2-​[(3R)​-​3-​amino-​1-​piperidinyl]​-​2,​3-​dihydro-​1H-​inden-​1-​yl]​oxy]​-​3-​chloro | RCP6-IN-1

Especificações e pureza

Moligand™, ≥97%

Mecanismos bioquímicos e fisiológicos

SAR7334 is a novel, highly potent and bioavailable inhibitor of TRPC6 channels.SAR7334 blocks TRPC6 currents with an IC50 of 7.9 nM in patch-clamp experiment.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

CHANNEL BLOCKER

Mecanismo de ação

Channel blocker of TRPC3;Channel blocker of TRPC6;Channel blocker of TRPC7

Pureza

≥97%

Propriedades do produto

ALogP

3.871

Contagem HBD

1

Ligação rotativa

3

Nomes e identificadores

Pubchem Sid

504771170

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771170

Sorrisos canónicos

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

IUPAC Name

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

InChIKey

RLKRLNQEXBPQGQ-OZOXKJRCSA-N

INCHI

1S/C21H22ClN3O/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/t16-,19-,21-/m1/s1

SMILES isoméricas

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

PubChem CID

53378752

Peso molecular

367.87

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 Organopnictogen compounds Organochlorides Monoalkylamines 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 - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

TRPC3 Tchem Short transient receptor potential channel 3 (2 Activities)

Discover Target: TRPC3

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

TRPC6 Tchem Short transient receptor potential channel 6 (4 Activities)

Discover Target: TRPC6

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

TRPC7 Tchem Short transient receptor potential channel 7 (2 Activities)

Discover Target: TRPC7

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

TRPC5 Tchem Short transient receptor potential channel 5 (300 Activities)

Discover Target: TRPC5

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

TRPC3 Tchem Short transient receptor potential channel 3 (70 Activities)

Discover Target: TRPC3

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

TRPC7 Tchem Short transient receptor potential channel 7 (12 Activities)

Discover Target: TRPC7

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Trpc4 Short transient receptor potential channel 4 (1615 Activities)

Discover Target: Trpc4

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

Trpc6 Short transient receptor potential channel 6 (57 Activities)

Discover Target: Trpc6

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 74 mg/mL (201.15 mM); Ethanol: 74 mg/mL (201.15 mM); Water: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 74
• DMSO (mM) Solubilidade máxima: 201.158017778019
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 367.900 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 367.145 Da
• Monoisotopic Mass: 367.145 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 26
• 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: 1