SB236057 - Moligand™ , Antagonist of 5-HT 1B receptor, CAS No.180083-49-2, Antagonist of 5-HT 1B receptor

CAS: 180083-49-2 Cat. No.: S613449 PubChem CID: 5311426
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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
GTPL3231 | AKOS040749421 | Q21098842 | (1'-Ethyl-6,7-dihydro-5H-spiro(furo(2,3-f)indole-3,4'-piperidin)-5-yl)(2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-yl)methanone | Spiro(2H-furo(2,3-f)indole-3(5H),4'-piperidine), 1'-ethyl-6,7-dihydro-5-((2
Storage
Room temperature
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Size
Deutschland (EU)
USA*
Price
Qty
5mg
S613449-5mg
Auf Bestellung · 8–12 Wochen
694,10€
25mg
S613449-25mg
Auf Bestellung · 8–12 Wochen
1.488,09€
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

Synonyme
GTPL3231 | AKOS040749421 | Q21098842 | (1'-Ethyl-6,7-dihydro-5H-spiro(furo(2,3-f)indole-3,4'-piperidin)-5-yl)(2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-yl)methanone | Spiro(2H-furo(2,3-f)indole-3(5H),4'-piperidine), 1'-ethyl-6,7-dihydro-5-((2
Spezifikationen & Reinheit
Moligand™
Storage
Room temperature
Note
Moligand™
Aktionsart
ANTAGONIST
Mechanismus der Wirkung
Antagonist of 5-HT 1B receptor
Namen und Kennungen
Kanonisches LächelnCCN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1nnc(o1)C
IUPAC Name1'-ethyl-7-({4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}carbonyl)-2,5,6,7-tetrahydrospiro[furo[2,3-f]indole-1,4'-piperidine]
InChIKeyWXAKEEQOWUHGCI-UHFFFAOYSA-N
INCHI1S/C33H34N4O3/c1-4-36-15-12-33(13-16-36)20-39-30-18-25-11-14-37(29(25)19-28(30)33)32(38)24-7-5-23(6-8-24)27-10-9-26(17-21(27)2)31-35-34-22(3)40-31/h5-10,17-19H,4,11-16,20H2,1-3H3
Isomere SMILES CCN1CCC2(CC1)COC3=C2C=C4C(=C3)CCN4C(=O)C5=CC=C(C=C5)C6=C(C=C(C=C6)C7=NN=C(O7)C)C
PubChem CID 5311426

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
KlasseIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxylic acids and derivatives
Alternative Parents Biphenyls and derivatives  Coumarans  Benzamides  Benzoyl derivatives  Toluenes  Alkyl aryl ethers  Aralkylamines  Piperidines  Tertiary carboxylic acid amides  1,3,4-oxadiazoles  Heteroaromatic compounds  Trialkylamines  Amino acids and derivatives  Oxacyclic compounds  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Biphenyl - Indolecarboxylic acid derivative - Benzamide - Benzoic acid or derivatives - Coumaran - Benzoyl - Alkyl aryl ether - Toluene - Aralkylamine - Benzenoid - Piperidine - Monocyclic benzene moiety - 1,3,4-oxadiazole - Tertiary carboxylic acid amide - Oxadiazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
HTR1B Tclin 5-hydroxytryptamine receptor 1B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht534.600 g/mol
XLogP35.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass534.263 Da
Monoisotopic Mass534.263 Da
Topological Polar Surface Area71.700 Ų
Heavy Atom Count40
Formal Charge0
Complexity900.000
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
Lösungsrechner
Bewertungen

Kundenbewertungen

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