azidopine - Moligand™ , Gating inhibitor of Ca v1.3, CAS No.90523-31-2, Gating inhibitor of Ca v1.3

CAS: 90523-31-2 Cat. No.: A607903 PubChem CID: 656406

COA

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ?

Synonyms

O3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate | 63XR70204A | SWMHKFTXBOJETC-UHFFFAOYSA-N | 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4- (2-(TRIFLUOROMETHYL)PHENY

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

O3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2, 6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1, 4-dihydropyridine-3, 5-dicarboxylate | 63XR70204A | SWMHKFTXBOJETC-UHFFFAOYSA-N | 3, 5-PYRIDINEDICARBOXYLIC ACID, 1, 4-DIHYDRO-2, 6-DIMETHYL-4- (2-(TRIFLUOROMETHYL)PHENY

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

GATING INHIBITOR

Mechanism of action

Gating inhibitor of Ca v1.3

Names and Identifiers

Canonical Smiles	CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C(=O)OCCNC(=O)c1ccc(cc1)N=[N+]=[N-])C
IUPAC Name	O3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
InChIKey	SWMHKFTXBOJETC-UHFFFAOYSA-N
INCHI	1S/C27H26F3N5O5/c1-4-39-25(37)21-15(2)33-16(3)22(23(21)19-7-5-6-8-20(19)27(28,29)30)26(38)40-14-13-32-24(36)17-9-11-18(12-10-17)34-35-31/h5-12,23,33H,4,13-14H2,1-3H3,(H,32,36)
Isomeric SMILES	CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCCNC(=O)C3=CC=C(C=C3)N=[N+]=[N-])C)C
PubChem CID	656406

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

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	Benzamides Dihydropyridinecarboxylic acids and derivatives Phenylazides Benzoyl derivatives Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Secondary carboxylic acid amides Azo compounds Azo imides Amino acids and derivatives Dialkylamines Azacyclic compounds Enamines Organic zwitterions Carbonyl compounds Organofluorides Alkyl fluorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Dihydropyridinecarboxylic acid derivative - Benzoyl - Phenylazide - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous amide - Secondary carboxylic acid amide - Amino acid or derivatives - Azo compound - Azo imide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Azacycle - Enamine - Carboxylic acid derivative - Secondary aliphatic amine - Organic zwitterion - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Organooxygen compound - 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	benzamides
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

3D Structure

Associated Targets(Human)

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

Discover Target: CACNA1D

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

A498 (42825 Activities)

Molecular Weight	557.500 g/mol
XLogP3	5.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Exact Mass	557.189 Da
Monoisotopic Mass	557.189 Da
Topological Polar Surface Area	108.000 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1070.000
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

azidopine - Moligand™ , Gating inhibitor of Ca v1.3, CAS No.90523-31-2, Gating inhibitor of Ca v1.3

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

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