RS 102895 hydrochloride - 10mM in DMSO , CAS No.1173022-16-6

CAS: 1173022-16-6 Cat. No.: R420774 Peso molecular: 426.9 PubChem CID: 16759153
Disponible para pedir
GRADE & PURITY 10mM in DMSO
Synonyms
RS 102895 hydrochloride|1173022-16-6|300815-41-2|RS-102895 Hydrochloride|RS102895 hydrochloride|RS102895 (hydrochloride)|MFCD08703093|1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride|Spiro[4H-3,1-benzoxa
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
R420774-1ml
2

164,90US$

241,90US$
Guardar 77,00 US$ (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Descripción general

 

Specifications

Sinónimos
RS 102895 hydrochloride | 1173022-16-6 | 300815-41-2 | RS-102895 Hydrochloride | RS102895 hydrochloride | RS102895 (hydrochloride) | MFCD08703093 | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3, 1-benzoxazine-4, 4'-piperidine]-2-one;hydrochloride | Spiro[4H-3, 1-benzoxa
Especificaciones y pureza
10mM in DMSO
Mecanismos bioquímicos y fisiológicos
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 .
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores
Sonrisas canónicasC1CN(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
Isómeros SMILES C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl
PubChem CID 16759153
Peso molecular 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
ClaseBenzoxazines
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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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
Objetivos asociados (no humanos)
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
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular426.900 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
Calculadoras de soluciones
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