PF-04905428 - Moligand™ , P2X purinoceptor 7 antagonist, CAS No.724424-43-5, P2X purinoceptor 7 antagonist

CAS: 724424-43-5 Cat. No.: P612730 Formula: C22H29ClN4O6 Peso molecolare: 480.9 PubChem CID: 11547499
Disponibile su ordine
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
DB12113 | AKOS040741528 | Benzamide, 2-chloro-5-(4,5-dihydro-4-((2R)-2-hydroxy-3-methoxypropyl)-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-n-((1-hydroxycycloheptyl)methyl)- | GTPL9062 | CE 224,535 | SCHEMBL3475321 | 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[
Storage
Room temperature
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Size
Germania (EU)
USA*
Price
Qty
5mg
P612730-5mg
Su ordinazione · 8–12 settimane

991,74€

1.158,34€
Salva 166,61 € (14.38%)
25mg
P612730-25mg
Su ordinazione · 8–12 settimane
1.389,16€
Enter a quantity for the sizes you want to add.
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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

Sinonimi
DB12113 | AKOS040741528 | Benzamide, 2-chloro-5-(4,5-dihydro-4-((2R)-2-hydroxy-3-methoxypropyl)-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-n-((1-hydroxycycloheptyl)methyl)- | GTPL9062 | CE 224,535 | SCHEMBL3475321 | 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[
Specifiche e purezza
Moligand™
Condizioni di conservazione di stoccaggio
Room temperature
Grado
Moligand™
Tipo di azione
ANTAGONIST
Meccanismo d'azione
P2X purinoceptor 7 antagonist
Proprietà del prodotto
ALogP1.6
Nomi e identificatori
Sorrisi canoniciCOCC(CN1C(=O)C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O)O
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
InChIKeyFUCKCIVGBCBZNP-MRXNPFEDSA-N
INCHI1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1
Isomeri SMILES COC[C@@H](CN1C(=O)C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O)O
CAS alternativo 724424-43-5
PubChem CID 11547499
Termini MeSH CE 224,535;CE 224535;CE-224,535;CE-224535;CE224,535;CE224535
Peso molecolare 480.9

Documentazione

📋 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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Halobenzoic acids and derivatives
Direct Parent2-halobenzoic acids and derivatives
Alternative Parents Benzamides  Benzoyl derivatives  Chlorobenzenes  1,2,4-triazines  Aryl chlorides  Vinylogous halides  Tertiary alcohols  Heteroaromatic compounds  Secondary carboxylic acid amides  Secondary alcohols  Lactams  Cyclic alcohols and derivatives  Azacyclic compounds  Dialkyl ethers  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Triazine - 1,2,4-triazine - Tertiary alcohol - Heteroaromatic compound - Cyclic alcohol - Vinylogous halide - Lactam - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
P2RX7 Tchem P2X purinoceptor 7 (7 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX7 Tchem P2X purinoceptor 7 (5534 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhesus monkey (3147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare480.900 g/mol
XLogP31.600
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass480.178 Da
Monoisotopic Mass480.178 Da
Topological Polar Surface Area132.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity742.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

How should this product be stored?
Store at room temperature.
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 724424-43-5, the molecular formula is C22H29ClN4O6, and the molecular weight is 480.9 g/mol. InChIKey FUCKCIVGBCBZNP-MRXNPFEDSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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