CCG-63802 - Moligand™, ≥98% , Inhibitor of regulator of G-protein signaling 4, CAS No.620112-78-9, Inhibitor of regulator of G-protein signaling 4

CAS: 620112-78-9 Cat. No.: C126910 Molecular Weight: 450.52 EC Number: 695-508-8
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. ≥98%
Synonyms
CCG-63802 | NCGC00101417-01 | (2E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile | DTXSID10211064 | GTPL8724 | (E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1,2
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
C126910-5mg
2
$99.90
10mg
C126910-10mg
2
$149.90
25mg
C126910-25mg
2
$370.90
50mg
C126910-50mg
1
$639.90
100mg
C126910-100mg
1
$1,039.90
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

Synonyms
CCG-63802 | NCGC00101417-01 | (2E)-2-(1, 3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1, 2-a]pyrimidin-3-yl]prop-2-enenitrile | DTXSID10211064 | GTPL8724 | (E)-2-(1, 3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1, 2
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Reversible inhibitor of regulator of G-protein signaling (RGS) proteins. Selective amongst RGS proteins, with greatest potency at RGS4. Inhibits GTPase accelerating protein activity of RGS4 and blocks its interaction with Gαo. Retains activity under reduc
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of regulator of G-protein signaling 4
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C4=NC5=CC=CC=C5S4
IUPAC Name(E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
InChIKeyVFSVKVQMZDJFQX-NBVRZTHBSA-N
INCHI1S/C26H18N4O2S/c1-16-7-5-9-19(13-16)32-24-20(26(31)30-12-6-8-17(2)23(30)29-24)14-18(15-27)25-28-21-10-3-4-11-22(21)33-25/h3-14H,1-2H3/b18-14+
Isomeric SMILES CC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C4=NC5=CC=CC=C5S4
Molecular Weight 450.52
Reaxy-Rn 32499384
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32499384&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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentDiarylethers
Alternative Parents Pyridopyrimidines  Benzothiazoles  Phenoxy compounds  Phenol ethers  Toluenes  Pyrimidones  Methylpyridines  Vinylogous esters  Thiazoles  Heteroaromatic compounds  Lactams  Nitriles  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Diaryl ether - Pyridopyrimidine - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Pyrimidone - Toluene - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyrimidine - Vinylogous ester - Azole - Thiazole - Heteroaromatic compound - Lactam - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
RGS4 Tchem Regulator of G-protein signaling 4 (0 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
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLH Tchem DNA polymerase eta (21678 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 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:

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

10 results found

Lot NumberCertificate TypeDateItem
A2420086Certificate of AnalysisOct 29, 2025 C126910
A2420087Certificate of AnalysisOct 29, 2025 C126910
A2420088Certificate of AnalysisOct 29, 2025 C126910
A2420089Certificate of AnalysisOct 29, 2025 C126910
A2420090Certificate of AnalysisOct 29, 2025 C126910
A2420091Certificate of AnalysisOct 29, 2025 C126910
A2420092Certificate of AnalysisOct 29, 2025 C126910
A2420093Certificate of AnalysisOct 29, 2025 C126910
A2420094Certificate of AnalysisOct 29, 2025 C126910
A2420095Certificate of AnalysisOct 29, 2025 C126910
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 2.25, Max Conc. mM: 5 with gentle warming
Molecular Weight450.500 g/mol
XLogP34.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass450.115 Da
Monoisotopic Mass450.115 Da
Topological Polar Surface Area107.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity1030.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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