A-317920 - Moligand™ , Antagonist of H 1 receptor;Antagonist of H 3 receptor, CAS No.360551-59-3, Antagonist of H 1 receptor;Antagonist of H 3 receptor

CAS: 360551-59-3 Cat. No.: A607289 PubChem CID: 10389213
AVAILABLE TO ORDER
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
N-(2-(4-(3-(4-(Cyclopropylcarbonyl)phenoxy)propyl)-1-piperazinyl)-1-methyl-2-oxoethyl)-2-furamide | A317920 | A-317920 | GTPL1216 | SCHEMBL7244823 | 2-Furancarboxamide, N-((1R)-2-(4-(3-(4- (cyclopropylcarbonyl)phenoxy)propyl)-1-piperazinyl)-1-methyl-2
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
A607289-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,142.90

$1,334.90
Save $192.00 (14.38%)
25mg
A607289-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,900.90
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

Synonyms
N-(2-(4-(3-(4-(Cyclopropylcarbonyl)phenoxy)propyl)-1-piperazinyl)-1-methyl-2-oxoethyl)-2-furamide | A317920 | A-317920 | GTPL1216 | SCHEMBL7244823 | 2-Furancarboxamide, N-((1R)-2-(4-(3-(4- (cyclopropylcarbonyl)phenoxy)propyl)-1-piperazinyl)-1-methyl-2
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of H 1 receptor;Antagonist of H 3 receptor
Names and Identifiers
Canonical SmilesO=C([C@H](NC(=O)c1ccco1)C)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1
IUPAC NameN-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
InChIKeyRTRADBQSZJIRMT-GOSISDBHSA-N
INCHI1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1
Isomeric SMILES C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3CC3)NC(=O)C4=CC=CO4
PubChem CID 10389213

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentN-acyl-alpha amino acids and derivatives
Alternative Parents Alkyl-phenylketones  Alpha amino acid amides  2-heteroaryl carboxamides  Aryl alkyl ketones  Benzoyl derivatives  Furoic acid and derivatives  Phenol ethers  Phenoxy compounds  N-alkylpiperazines  Alkyl aryl ethers  Heteroaromatic compounds  Tertiary carboxylic acid amides  Trialkylamines  Secondary carboxylic acid amides  Oxacyclic compounds  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Alpha-amino acid amide - Phenylketone - Aryl ketone - Aryl alkyl ketone - Phenol ether - 2-heteroaryl carboxamide - Benzoyl - Furoic acid or derivatives - Phenoxy compound - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HRH3 Tclin Histamine H3 receptor (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HRH1 Tclin Histamine H1 receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HRH3 Tclin Histamine H3 receptor (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight453.500 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass453.226 Da
Monoisotopic Mass453.226 Da
Topological Polar Surface Area92.100 Ų
Heavy Atom Count33
Formal Charge0
Complexity682.000
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
Solution Calculators
Reviews

Customer Reviews

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