ML192 - Moligand™,≥99% , CAS No.460331-61-7

CAS: 460331-61-7 Cat. No.: M648928 Formule: C20H22N4O2S Poids moléculaire: 382.48 PubChem CID: 1434953
DISPONIBLE À COMMANDE
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. ≥99%
Synonyms
Furan-2-yl(4-(2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone | ML 192,CID-1434953, CID1434953,CID 1434953
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Allemagne (EU)
USA*
Price
Qty
1mg
M648928-1mg
Sur commande · 8–12 semaines
20,74€
5mg
M648928-5mg
Sur commande · 8–12 semaines
51,98€
10mg
M648928-10mg
Sur commande · 8–12 semaines
86,69€
25mg
M648928-25mg
Sur commande · 8–12 semaines
156,11€
50mg
M648928-50mg
Sur commande · 8–12 semaines
216,85€
100mg
M648928-100mg
Sur commande · 8–12 semaines
303,62€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥99% 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.

Vue d’ensemble

ML192 is a selective ligand antagonist of GPR55 . ML192 inhibits the β-arrestin trafficking, ERK1/2 phosphorylation and PKCβII translocation
In Vitro(for reference only)
ML192 inhibits the β-arrestin trafficking induced by 10 μM L-α lysophosphatidylinositol (LPI) or 1 μM ML186 with IC 50 values of 0.70 µM and 0.29 µM, respectively. ML192 significantly inhibits ERK1/2 phosphorylation in GPRSS-expressing U2OS cells with an IC 50 value of 1.1 µM. ML192 (0, 10, 30 and 100 µM) reduces the translocation of PKCβII in cells with the Wild-Type GPR55 receptor.
Form:Solid
IC50& Target:ERK2 ERK1 PKCβII

Specifications

Synonymes
Furan-2-yl(4-(2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone | ML 192,CID-1434953, CID1434953,CID 1434953
Spécifications et pureté
Moligand™,≥99%
Mécanismes biochimiques et physiologiques
ML192 is a selective ligand antagonist of GPR55 . ML192 inhibits the β-arrestin trafficking, ERK1/2 phosphorylation and PKCβII translocation.
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.
Grade
Moligand™
Type d'action
INHIBITOR
Pureté
≥99%
Noms et identifiants
Sourires canoniquesCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)C5=CC=CO5
IUPAC Namefuran-2-yl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
InChIKeyGDPDARVUXXOYAJ-UHFFFAOYSA-N
INCHI1S/C20H22N4O2S/c1-13-21-18(17-14-5-2-3-7-16(14)27-19(17)22-13)23-8-10-24(11-9-23)20(25)15-6-4-12-26-15/h4,6,12H,2-3,5,7-11H2,1H3
Isomères SMILES CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)C5=CC=CO5
PubChem CID 1434953
Poids moléculaire 382.48

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
ClasseDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentN-arylpiperazines
Alternative Parents Thienopyrimidines  Furoic acid and derivatives  Dialkylarylamines  2-heteroaryl carboxamides  Aminopyrimidines and derivatives  Imidolactams  Thiophenes  Tertiary carboxylic acid amides  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-arylpiperazine - Thienopyrimidine - 2-heteroaryl carboxamide - Furoic acid or derivatives - Dialkylarylamine - Aminopyrimidine - Pyrimidine - Imidolactam - Furan - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
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
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GPR55 Tclin G-protein coupled receptor 55 (1594 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
microRNA 21 (64692 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATXN2 Tbio Ataxin-2 (54410 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 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
SolubilitéDMSO : 100 mg/mL (261.45 mM; Need ultrasonic)
Poids moléculaire382.500 g/mol
XLogP34.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass382.146 Da
Monoisotopic Mass382.146 Da
Topological Polar Surface Area90.700 Ų
Heavy Atom Count27
Formal Charge0
Complexity556.000
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
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