RS 102895 hydrochloride - ≥98% , CAS No.1173022-16-6

CAS: 1173022-16-6 Cat. No.: R274707 Molecular Weight: 426.9 PubChem CID: 16759153
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
1'-[2-[4-(Trifluoromethyl)phenyl]ethyl]-spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one HCl | AKOS024456940 | 1'-{2-[4-(Trifluoromethyl)phenyl]ethyl}spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one--hydrogen chloride (1/1) | BCP18408 | RS-102895 HCl | 1
Storage
Store at -20°C,Argon charged,Desiccated
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
R274707-5mg
2
$107.90
10mg
R274707-10mg
2
$153.90
25mg
R274707-25mg
2
$339.90
50mg
R274707-50mg
2
$509.90
100mg
R274707-100mg
2
$892.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged,Desiccated 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.

Overview

 

Specifications

Synonyms
1'-[2-[4-(Trifluoromethyl)phenyl]ethyl]-spiro[4H-3, 1-benzoxazine-4, 4'-piperidin]-2(1H)-one HCl | AKOS024456940 | 1'-{2-[4-(Trifluoromethyl)phenyl]ethyl}spiro[3, 1-benzoxazine-4, 4'-piperidin]-2(1H)-one--hydrogen chloride (1/1) | BCP18408 | RS-102895 HCl | 1
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Selective CCR2 receptor antagonist (IC 50 values are 360 nM and 17.8 μM at CCR2 and CCR1 receptors, respectively). Inhibits MCP-1 and MCP-3 stimulated calcium influx (IC 50 values are 32 and 130 nM, respectively). Active in vivo .
Storage
Store at -20°C, Argon charged, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%
Names and Identifiers
Pubchem Sid504768521
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504768521
Canonical SmilesC1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl
IUPAC Name1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride
InChIKeyKRRISOFSWVKYBF-UHFFFAOYSA-N
INCHI1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H
Isomeric SMILES C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl
PubChem CID 16759153
Molecular Weight 426.9

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
ClassBenzoxazines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzoxazines
Alternative Parents Trifluoromethylbenzenes  Phenethylamines  Aralkylamines  Piperidines  Carbamate esters  Trialkylamines  Oxacyclic compounds  Azacyclic compounds  Organofluorides  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoxazine - Trifluoromethylbenzene - Phenethylamine - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrochloride - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 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
FTL Ferritin light chain (43324 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.

5 results found

Lot NumberCertificate TypeDateItem
C23021029Certificate of AnalysisMar 18, 2026 R274707
C23021033Certificate of AnalysisMar 18, 2026 R274707
C23021186Certificate of AnalysisMar 18, 2026 R274707
C23021187Certificate of AnalysisMar 18, 2026 R274707
C23021192Certificate of AnalysisMar 18, 2026 R274707
Chemical and Physical Properties
SolubilitySoluble in DMSO to 50 mM
SensitivityMoisture sensitive
Molecular Weight426.900 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass426.132 Da
Monoisotopic Mass426.132 Da
Topological Polar Surface Area41.600 Ų
Heavy Atom Count29
Formal Charge0
Complexity552.000
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 Count2
Solution Calculators
Reviews

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