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 분자식: C₂₁H₂₃C_l2NO₆ 분자량: 456.32 EC 번호: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

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

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

작업 유형

BLOCKER

작동 메커니즘

Voltage-gated L-type calcium channel blocker

순수함

≥99%

이름과 식별자

• Pubchem Sid: 504757387
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757387
• 정식 스마일: 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
• 이성체 SMILES: CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
• 분자량: 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
    • 분류 Pyridines and derivatives
      • Subclass Hydropyridines
        • Level5 Dihydropyridines
          • Level6 Dihydropyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

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Hdac6 Histone deacetylase 6 (222 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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

Discover Target: CACNA1C

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작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO 91 mg/mL Water <1 mg/mL Ethanol 3 mg/mL
• 감도: Heat Sensitive
• 녹는점(°C): 143 °C
• 분자량: 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