CGS 20625 - ≥99%(HPLC) , CAS No.111205-55-1

CAS: 111205-55-1 Cat. No.: C288455 Formule: C18H19N3O2 Poids moléculaire: 309.36
DISPONIBLE À COMMANDE
GRADE & PURITY ≥99%(HPLC)
Synonyms
5,6,7,8,9,10-Hexahydro-2-(4-methoxyphenyl)cyclohepta[b]pyrazolo[3,4-d]pyridin-3(2H)-one. | CHEBI:93192 | Q5010987 | SCHEMBL9691852 | J-002543 | Cyclohepta(b)pyrazolo(3,4-d)pyridin-3(2H)-one, 5,6,7,8,9,10-hexahydro-2-(4-methoxyphenyl)- | LSM-3520 | PD03293
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Allemagne (EU)
USA*
Price
Qty
5mg
C288455-5mg
Sur commande · 8–12 semaines
202,10€
10mg
C288455-10mg
Sur commande · 8–12 semaines
321,84€
25mg
C288455-25mg
Sur commande · 8–12 semaines
643,78€
50mg
C288455-50mg
Sur commande · 8–12 semaines
1 029,92€
100mg
C288455-100mg
Sur commande · 8–12 semaines
1 645,15€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

partial agonist for the benzodiazepine binding site of the GABAA receptor

Specifications

Synonymes
5,6,7,8,9,10-Hexahydro-2-(4-methoxyphenyl)cyclohepta[b]pyrazolo[3,4-d]pyridin-3(2H)-one. | CHEBI:93192 | Q5010987 | SCHEMBL9691852 | J-002543 | Cyclohepta(b)pyrazolo(3,4-d)pyridin-3(2H)-one, 5,6,7,8,9,10-hexahydro-2-(4-methoxyphenyl)- | LSM-3520 | PD03293
Spécifications et pureté
≥99%(HPLC)
Mécanismes biochimiques et physiologiques
Selective, partial agonist for the benzodiazepine binding site of the GABAAreceptor. Potently inhibits [3H]-flunitrazepam binding to central benzodiazepine receptors (IC50= 1.3 nM) and displays weak affinity for peripheral benzodiazepine (IC50= 0.68 - 2.2
Conditions de stockage de stockage
Store at -20°C
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.
Type d'action
AGONIST
Pureté
≥99%(HPLC)
Noms et identifiants
Sourires canoniquesCOC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2
IUPAC Name4-(4-methoxyphenyl)-3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-1,6,8-trien-5-one
InChIKeyUBLXQFIFWUEVGJ-UHFFFAOYSA-N
INCHI1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,20H,2-6H2,1H3
Isomères SMILES COC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2
Poids moléculaire 309.36
Reaxy-Rn 49422715
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49422715&ln=

Documentation

📋 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
SuperclassOrganoheterocyclic compounds
ClasseAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Pyrazolopyridines  Methoxyanilines  Phenoxy compounds  Anisoles  Methoxybenzenes  Alkyl aryl ethers  Pyridines and derivatives  Pyrazolones  Vinylogous amides  Heteroaromatic compounds  Lactams  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpyrazole - Pyrazolopyridine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazolinone - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
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rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
SolubilitéSolvent:DMSO, Max Conc. mg/mL: 30.94, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.73, Max Conc. mM: 25
Poids moléculaire309.400 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass309.148 Da
Monoisotopic Mass309.148 Da
Topological Polar Surface Area54.500 Ų
Heavy Atom Count23
Formal Charge0
Complexity436.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

What is the purity of this product, and how is it determined?
This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 111205-55-1, the molecular formula is C18H19N3O2, and the molecular weight is 309.36 g/mol. InChIKey UBLXQFIFWUEVGJ-UHFFFAOYSA-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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