PD 81723 - Moligand™, ≥98% , Allosteric modulator of A 1 receptor, CAS No.132861-87-1, Allosteric modulator of A 1 receptor

CAS: 132861-87-1 Cat. No.: P166989 Peso molecular: 299.31 PubChem CID: 122028
Disponible para pedir
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. ≥98%
Synonyms
CCG-101185 | AKOS016005691 | N-(5-AMINO-PENTYL)-PHTHALIMIDEHCL | pd81,723 | PD-81,723 | PD 81723 | HMS3412I16 | SR-01000597575 | HMS3394F11 | Methanone, (2-amino-4,5-dimethyl-3-thienyl)(3-(trifluoromethyl)phenyl)- | SCHEMBL2780127 | (2-amino-4,5-dimethylt
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
P166989-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
109,90US$
5mg
P166989-5mg
3
391,90US$
10mg
P166989-10mg
3
625,90US$
25mg
P166989-25mg
2
1.093,90US$
50mg
P166989-50mg
1
1.749,90US$
100mg
P166989-100mg
1
2.797,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ 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.

Specifications

Sinónimos
CCG-101185 | AKOS016005691 | N-(5-AMINO-PENTYL)-PHTHALIMIDEHCL | pd81, 723 | PD-81, 723 | PD 81723 | HMS3412I16 | SR-01000597575 | HMS3394F11 | Methanone, (2-amino-4, 5-dimethyl-3-thienyl)(3-(trifluoromethyl)phenyl)- | SCHEMBL2780127 | (2-amino-4, 5-dimethylt
Especificaciones y pureza
Moligand™, ≥98%
Mecanismos bioquímicos y fisiológicos
Allosteric potentiator at the adenosine A1receptor; acts via agonist-dependent and -independent mechanisms. Enhances agonist affinity for, and increased t½of dissociation from, the receptor. Also inhibits basal and forskolin-stimulated adenylyl cyclase (A
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
ALLOSTERIC MODULATOR
Mecanismo de acción
Allosteric modulator of A 1 receptor
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCC1=C(SC(=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)N)C
IUPAC Name(2-amino-4,5-dimethylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
InChIKeyKKDKAWKYGCUOGR-UHFFFAOYSA-N
INCHI1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3
Isómeros SMILES CC1=C(SC(=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)N)C
CAS alternativo 132861-87-1
PubChem CID 122028
Términos de entrada MeSH (2-amino-4,5-dimethyl-3-thienyl)-(3-(trifluoromethyl)phenyl)methanone;PD 81723;PD-81,723
Peso molecular 299.31

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
ClaseThiophenes
Subclass3-aroylthiophenes
Intermediate Tree Nodes 2-amino-3-aroylthiophenes
Direct Parent2-amino-3-aroyl-4,5-alkylthiophenes
Alternative Parents Aryl-phenylketones  2-amino-3-benzoylthiophenes  Trifluoromethylbenzenes  3,4,5-trisubstituted-2-aminothiophenes  Thiophene carboxylic acids and derivatives  Benzoyl derivatives  Vinylogous amides  Heteroaromatic compounds  Primary amines  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-amino-3-aroyl-4,5-alkylthiophene - Aryl-phenylketone - 2-amino-3-benzoylthiophene - Trifluoromethylbenzene - 3,4,5-trisubstituted-2-aminothiophene - Benzoyl - Thiophene carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketone - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 2-amino-3-aroyl-4,5-alkylthiophenes. These are 3-aroylthiophenes which are substituted at the 2-position by an amine group and the 4-, and 5-position by an alkyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ADORA1 Tclin Adenosine receptor A1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 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
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adora2b Adenosine A2 receptor (1828 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate TypeFechaArticulo
H2430037Certificate of AnalysisMay 27, 2024 P166989
H2430038Certificate of AnalysisMay 27, 2024 P166989
H2430039Certificate of AnalysisMay 27, 2024 P166989
H2430041Certificate of AnalysisMay 27, 2024 P166989
H2430043Certificate of AnalysisMay 27, 2024 P166989
H2430044Certificate of AnalysisMay 27, 2024 P166989
H2430045Certificate of AnalysisMay 27, 2024 P166989
H2430046Certificate of AnalysisMay 27, 2024 P166989
H2430108Certificate of AnalysisMay 27, 2024 P166989
H2430109Certificate of AnalysisMay 27, 2024 P166989
Propiedades químicas y físicas
SolubilidadSolvent:ethanol, Max Conc. mg/mL: 29.93, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 29.93, Max Conc. mM: 100
Peso molecular299.310 g/mol
XLogP34.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass299.059 Da
Monoisotopic Mass299.059 Da
Topological Polar Surface Area71.300 Ų
Heavy Atom Count20
Formal Charge0
Complexity374.000
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
Calculadoras de soluciones
Reseñas

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