CCR2-RA-[R] - Moligand™ , Allosteric modulator of CCR2, CAS No.C608420, Allosteric modulator of CCR2

CAS: C608420 Cat. No.: C608420 PubChem CID: 12093170
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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
analog 49 (Dasse et al., 2007)
Storage
Room temperature
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Size
Deutschland (EU)
USA*
Price
Qty
5mg
C608420-5mg
Auf Bestellung · 8–12 Wochen

991,74€

1.158,34€
Speichern 166,61 € (14.38%)
25mg
C608420-25mg
Auf Bestellung · 8–12 Wochen

1.488,09€

1.737,13€
Speichern 249,04 € (14.34%)
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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
analog 49 (Dasse et al., 2007)
Spezifikationen & Reinheit
Moligand™
Storage
Room temperature
Note
Moligand™
Aktionsart
ALLOSTERIC MODULATOR
Mechanismus der Wirkung
Allosteric modulator of CCR2
Namen und Kennungen
Kanonisches LächelnClc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C
IUPAC Name(2R)-3-acetyl-1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
InChIKeyVQNLJXWZGVRLBA-MRXNPFEDSA-N
INCHI1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1
Isomere SMILES CC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)C3=C(C=C(C=C3)Cl)F)O
PubChem CID 12093170

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
SuperclassOrganoheterocyclic compounds
KlassePyrrolines
SubclassPhenylpyrrolines
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrrolines
Alternative Parents Fluorobenzenes  Chlorobenzenes  Aryl fluorides  Aryl chlorides  Vinylogous acids  Tertiary carboxylic acid amides  Pyrroles  Lactams  Ketones  Enols  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 1-phenylpyrroline - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Vinylogous acid - Tertiary carboxylic acid amide - Pyrrole - Lactam - Ketone - Carboxamide group - Azacycle - Enol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
CCR2 Tchem C-C chemokine receptor type 2 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR2 Tchem C-C chemokine receptor type 2 (5628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht351.800 g/mol
XLogP34.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass351.104 Da
Monoisotopic Mass351.104 Da
Topological Polar Surface Area57.600 Ų
Heavy Atom Count24
Formal Charge0
Complexity558.000
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
Lösungsrechner
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