(±)-BAYK8644 - Moligand™, ≥98% , 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.: B275937 Formula: C₁₆H₁₅F₃N₂O₄ Molecular Weight: 356.3 EC Number: 636-102-2

GRADE & PURITY Moligand™, ≥98%

Synonyms

HMS1791O20 | NCGC00015124-08 | NCGC00260871-01 | Tox21_500186 | BCP15942 | NCGC00015124-07 | SR-01000075305 | GTPL2511 | HMS3371N20 | HMS3886L19 | R(+)-BAY K 8644 | 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

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

Synonyms

HMS1791O20 | NCGC00015124-08 | NCGC00260871-01 | Tox21_500186 | BCP15942 | NCGC00015124-07 | SR-01000075305 | GTPL2511 | HMS3371N20 | HMS3886L19 | R(+)-BAY K 8644 | 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

Pubchem Sid

504750553

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750553

Canonical Smiles

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

Isomeric SMILES

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

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM and in ethanol to 100 mM
• Molecular Weight: 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

Frequently Asked Questions

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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 71145-03-4, the molecular formula is C16H15F3N2O4, and the molecular weight is 356.3 g/mol. InChIKey ZFLWDHHVRRZMEI-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.