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 Formula: C₂₇H₃₃NO₄ Peso molecolare: 435.56 Numero EC: 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

Panoramica

Product application：

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

Specifications

Sinonimi

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,

Specifiche e purezza

Moligand™, ≥95%

Condizioni di conservazione di stoccaggio

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

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

AGONIST, INHIBITOR

Meccanismo d'azione

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

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 528775595
• Sorrisi canonici: 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
• Isomeri 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 Germania: 3
• RTECS: DJ2830000
• PubChem CID: 105008
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

NR1H3 Tchem Oxysterols receptor LXR-alpha (1 Activities)

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

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (1 Activities)

Discover Target: KCNMA1

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

ATP2A3 Tchem Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 (6 Activities)

Discover Target: ATP2A3

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

ATP2A2 Tchem Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (53 Activities)

Discover Target: ATP2A2

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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HTT Tchem Huntingtin (19182 Activities)

Discover Target: HTT

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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

TSG101 Tbio Tumor susceptibility gene 101 protein (2874 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

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

APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)

Discover Target: APOBEC3F

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

Obiettivi associati (non umani)

Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (103 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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H4 (48 Activities)

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ATP2A1 Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (121 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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Ileum (29 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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pos-1 Cytoplasmic zinc-finger protein (1690 Activities)

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mex-5 Zinc finger protein mex-5 (1676 Activities)

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TIM10 Mitochondrial import inner membrane translocase subunit TIM10 (1435 Activities)

Discover Target: TIM10

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO, acetone or chloroform
• Sensibilità: Light and moisture sensitive
• Punto di fusione (°C): 252°C-269°C
• Peso molecolare: 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