(±)-BAYK8644 - Moligand™, 10mM in DMSO , Activator of Ca v1.1;Activator of Ca v1.2;Activator of Ca v1.3;Activator of Ca v1.4, CAS No.71145-03-4, Activator of Ca v1.1;Activator of Ca v1.2;Activator of Ca v1.3;Activator of Ca v1.4

CAS: 71145-03-4 Cat. No.: B425631 分子式: C₁₆H₁₅F₃N₂O₄ 分子量: 356.3 EC番号: 636-102-2

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

71145-03-4|Bay K 8644|(+/-)-BAY K 8644|methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate|BAY-K-8644|BayK8644|Bay K8644|BAYK 8644|(+/-)-Bay K8644|93468-89-4|MLS000028858|3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-d

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Product Describtion:

Bay K 8644, a dihydropyridine compound, is a specific L-type Ca2+ channel agonist. Bay K 8644 increases Ca2+ influx through sarcolemmal Ca2+ channels by increasing the open time of the channel.

Specifications

同義語

71145-03-4 | Bay K 8644 | (+/-)-BAY K 8644 | methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate | BAY-K-8644 | BayK8644 | Bay K8644 | BAYK 8644 | (+/-)-Bay K8644 | 93468-89-4 | MLS000028858 | 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-d

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

Potent L-type Ca 2+ channel activator (EC 50 = 17.3 nM). Centrally active following systemic administration.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ACTIVATOR

作用メカニズム

Activator of Ca v1.1;Activator of Ca v1.2;Activator of Ca v1.3;Activator of Ca v1.4

名前と識別子

パブケム・シド

528753451

カノニカル・スマイル

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC

IUPAC Name

methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

InChIKey

ZFLWDHHVRRZMEI-UHFFFAOYSA-N

INCHI

1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3

異性体SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC

分子量

356.3

Reaxy-Rn

453490

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=453490&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Dihydropyridinecarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkylamines Enamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - Dihydropyridinecarboxylic acid derivative - Dihydropyridine - Hydropyridine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic oxoazanium - Monocarboxylic acid or derivatives - Azacycle - Amine - Organohalogen compound - Organopnictogen compound - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• External Descriptors: dihydropyridine

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

関連ターゲット（人間）

CACNA1C Tclin Voltage-dependent L-type calcium channel subunit alpha-1C (0 Activities)

Discover Target: CACNA1C

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

CACNA1D Tclin Voltage-dependent L-type calcium channel subunit alpha-1D (0 Activities)

Discover Target: CACNA1D

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

CACNA1F Tchem Voltage-dependent L-type calcium channel subunit alpha-1F (0 Activities)

Discover Target: CACNA1F

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

CACNA1S Tclin Voltage-dependent L-type calcium channel subunit alpha-1S (0 Activities)

Discover Target: CACNA1S

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

化学的性質と物理的性質

• 分子量: 356.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 356.098 Da
• Monoisotopic Mass: 356.098 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 634.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1