CCR2 antagonist 3 - ≥98% , CAS No.1380100-86-6

CAS: 1380100-86-6 Cat. No.: C647230 Molecular Weight: 308.39 PubChem CID: 57345449
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
GTPL7704 | SCHEMBL9106608 | AZD 2927 | 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide | MS-24474 | Benzamide, 4-fluoro-N-[(1S)-1-[(3-hydroxy-1-azetidinyl)methyl]-2-methylpropyl]-N,3-dimethyl- | AZD 2927 [WHO-DD] | CC
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
C647230-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$800.90
10mg
C647230-10mg
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$1,360.90
25mg
C647230-25mg
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$2,700.90
50mg
C647230-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$4,400.90
100mg
C647230-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$6,800.90
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Why this grade

≥98% 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.

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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.

Overview

CCR2 antagonist 3 is a chemokine receptor 2 (CCR2) antagonist.

Form:Solid

IC50& Target:CCR2

Specifications

Synonyms
GTPL7704 | SCHEMBL9106608 | AZD 2927 | 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N, 3-dimethylbenzamide | MS-24474 | Benzamide, 4-fluoro-N-[(1S)-1-[(3-hydroxy-1-azetidinyl)methyl]-2-methylpropyl]-N, 3-dimethyl- | AZD 2927 [WHO-DD] | CC
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
CCR2 antagonist 3 is a chemokine receptor 2 (CCR2) antagonist.
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.
Action Type
ANTAGONIST
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=C(C=CC(=C1)C(=O)N(C)C(CN2CC(C2)O)C(C)C)F
IUPAC Name4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
InChIKeyGAHPWXLXWUVMIV-MRXNPFEDSA-N
INCHI1S/C17H25FN2O2/c1-11(2)16(10-20-8-14(21)9-20)19(4)17(22)13-5-6-15(18)12(3)7-13/h5-7,11,14,16,21H,8-10H2,1-4H3/t16-/m1/s1
Isomeric SMILES CC1=C(C=CC(=C1)C(=O)N(C)[C@H](CN2CC(C2)O)C(C)C)F
Alternate CAS 1380100-86-6
PubChem CID 57345449
MeSH Entry Terms 4-fluoro-N-(1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl)-N,3-dimethylbenzamide;AZD2927
Molecular Weight 308.39

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Toluamides - m-Toluamides
Direct ParentN,N-dialkyl-m-toluamides
Alternative Parents 4-halobenzoic acids and derivatives  Benzamides  Benzoyl derivatives  Fluorobenzenes  Aryl fluorides  Tertiary carboxylic acid amides  Trialkylamines  Secondary alcohols  Azetidines  Amino acids and derivatives  1,2-aminoalcohols  Azacyclic compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N,n-dialkyl-m-toluamide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - Azetidine - 1,2-aminoalcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
KCNJ3 Tchem G protein-activated inward rectifier potassium channel 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNJ5 Tchem G protein-activated inward rectifier potassium channel 4 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 100 mg/mL (324.26 mM; Need ultrasonic)
Molecular Weight308.400 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass308.19 Da
Monoisotopic Mass308.19 Da
Topological Polar Surface Area43.800 Ų
Heavy Atom Count22
Formal Charge0
Complexity385.000
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
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