Cleviprex - Moligand™, ≥99% , Voltage-gated L-type calcium channel blocker, CAS No.167221-71-8, Voltage-gated L-type calcium channel blocker

CAS: 167221-71-8 Cat. No.: C125754 Molecular Weight: 456.32 EC Number: 682-702-2

GRADE & PURITY Moligand™, ≥99%

Synonyms

CLEVIDIPINE [ORANGE BOOK] | SR-01000945183 | H324/38 | H-324/38 | METHYL 5-{[(BUTANOYLOXY)METHOXY]CARBONYL}-4-(2,3-DICHLOROPHENYL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE | A810832 | SW220087-1 | Clevidipine [USAN:INN] | H 324/38 | HMS3604H21 | 19O

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Clevidipine Butyrate is a dihydropyridine calcium channel blocker use as agent for the reduction of blood pressure.
A calcium channel protein inhibitor and blocker

Specifications

Synonyms

CLEVIDIPINE [ORANGE BOOK] | SR-01000945183 | H324/38 | H-324/38 | METHYL 5-{[(BUTANOYLOXY)METHOXY]CARBONYL}-4-(2, 3-DICHLOROPHENYL)-2, 6-DIMETHYL-1, 4-DIHYDROPYRIDINE-3-CARBOXYLATE | A810832 | SW220087-1 | Clevidipine [USAN:INN] | H 324/38 | HMS3604H21 | 19O

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Clevidipine(Clevidipine)是短效二氢吡啶钙离子通道拮抗剂，IC50为7.1 nM。

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

BLOCKER

Mechanism of action

Voltage-gated L-type calcium channel blocker

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504757387
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757387
• Canonical Smiles: CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
• IUPAC Name: 5-O-(butanoyloxymethyl) 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• InChIKey: KPBZROQVTHLCDU-UHFFFAOYSA-N
• INCHI: 1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3
• Isomeric SMILES: CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
• Molecular Weight: 456.32
• Reaxy-Rn: 8450029
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8450029&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Hydropyridines
        • Level5 Dihydropyridines
          • Level6 Dihydropyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Dihydropyridines
• Direct Parent: Dihydropyridinecarboxylic acids and derivatives
• Alternative Parents: Tricarboxylic acids and derivatives Dichlorobenzenes Acylals Fatty acid esters Aryl chlorides Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives Acetals Azacyclic compounds Dialkylamines Enamines Organopnictogen compounds Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Tricarboxylic acid or derivatives - 1,2-dichlorobenzene - Chlorobenzene - Acylal - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Secondary amine - Enamine - Azacycle - Secondary aliphatic amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
• 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

Associated Targets(Human)

Homo sapiens (32628 Activities)

Explore this target

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

CACNA1C Voltage-dependent L-type calcium channel subunit alpha-1C (242 Activities)

Discover Target: CACNA1C

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 91 mg/mL Water <1 mg/mL Ethanol 3 mg/mL
• Sensitivity: Heat Sensitive
• Melt Point(°C): 143 °C
• Molecular Weight: 456.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 455.09 Da
• Monoisotopic Mass: 455.09 Da
• Topological Polar Surface Area: 90.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 748.000
• 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