Paxilline - Moligand™, ≥95% , Inhibitor of K Ca1.1;Agonist of Liver X receptor-α, CAS No.57186-25-1, Inhibitor of K Ca1.1;Agonist of Liver X receptor-α

CAS: 57186-25-1 Cat. No.: P492254 Formule: C₂₇H₃₃NO₄ Poids moléculaire: 435.56 Numéro CE: 637-206-0 PubChem CID: 105008

GRADE & PURITY Moligand™, ≥95%

Synonyms

Bio2_000627 | SCHEMBL361232 | BRD-K38251852-001-02-5 | NCGC00025342-05 | Bio1_001106 | IDI1_033897 | paxillin | Q10860377 | UNII-3T9U9Z96L7 | (2R,4bS,6aS,12bS,12cR,14aS)-5,6,6a, 7,12,12b,12c,13,14,14a-Decahydro-4b-hydroxy-2-(1-h ydroxy-1-methylethyl)-12b,

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Product application：

Potent blocker of high-conductance calcium-activated potassium (BKCa) channels

Specifications

Synonymes

Bio2_000627 | SCHEMBL361232 | BRD-K38251852-001-02-5 | NCGC00025342-05 | Bio1_001106 | IDI1_033897 | paxillin | Q10860377 | UNII-3T9U9Z96L7 | (2R,4bS,6aS,12bS,12cR,14aS)-5,6,6a, 7,12,12b,12c,13,14,14a-Decahydro-4b-hydroxy-2-(1-h ydroxy-1-methylethyl)-12b,

Spécifications et pureté

Moligand™, ≥95%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST, INHIBITOR

Mécanisme d'action

Inhibitor of K Ca1.1;Agonist of Liver X receptor-α

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528775595

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528775595

Sourires canoniques

CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O

IUPAC Name

(1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one

InChIKey

ACNHBCIZLNNLRS-UBGQALKQSA-N

INCHI

1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1

Isomères SMILES

C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)O

WGK Allemagne

3

RTECS

DJ2830000

PubChem CID

105008

Poids moléculaire

435.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Naphthopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Naphthopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthopyrans
• Alternative Parents: Naphthalenes 3-alkylindoles Dihydropyranones Tertiary alcohols Pyrroles Heteroaromatic compounds Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthopyran - Naphthalene - 3-alkylindole - Indole - Indole or derivatives - Dihydropyranone - Pyran - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Cyclic alcohol - Cyclic ketone - Ketone - Oxacycle - Azacycle - Dialkyl ether - Ether - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• External Descriptors: organic heterotricyclic compound - organooxygen compound

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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO, acetone or chloroform
• Sensibilité: Light and moisture sensitive
• Point de fusion (°C): 252°C-269°C
• Poids moléculaire: 435.600 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 435.241 Da
• Monoisotopic Mass: 435.241 Da
• Topological Polar Surface Area: 82.600 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 868.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1