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J 113863 - ≥98%(HPLC) , CAS No.202796-41-6

CAS: 202796-41-6 Cat. No.: J287113 Molecular Weight: 655.44 PubChem CID: 6918496
COA
J 113863 - ≥98%(HPLC) CAS No(202796-41-6) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Synonyms
MFCD00000048 | F81765 | UCB 35625 | 1,4-cis-1-(1-Cycloocten-1-ylmethyl)-4-[[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino]-1-ethylpiperidinium iodide | 2-amino-4-carboxy-1-chlorobenzene | H942HGF14D | MS-30985 | trans-j-113863 | Piperidinium, 1-(1-cyclooct
Storage
Store at 2-8°C
Shipped In
Wet ice
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
J287113-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$222.90
10mg
J287113-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$480.90
50mg
J287113-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,018.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Associated Targets(Human) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
🧪

Why this grade

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

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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
MFCD00000048 | F81765 | UCB 35625 | 1, 4-cis-1-(1-Cycloocten-1-ylmethyl)-4-[[(2, 7-dichloro-9H-xanthen-9-yl)carbonyl]amino]-1-ethylpiperidinium iodide | 2-amino-4-carboxy-1-chlorobenzene | H942HGF14D | MS-30985 | trans-j-113863 | Piperidinium, 1-(1-cyclooct
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Potent chemokine receptor 1 (CCR1) antagonist (IC50values are 0.9 and 5.8 nM for human and mouse CCR1 receptors respectively). Also displays high selectivity for human but not mouse CCR3 receptors (IC50values are 0.58 and 460 nM respectively). Improves pa
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Purity
≥98%(HPLC)
Names and Identifiers
Canonical SmilesCC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5=CCCCCCC5.[I-]
IUPAC Name2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide
InChIKeyFOAFBMYSXIGAOX-LQGGPMKRSA-N
INCHI1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
Isomeric SMILES CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)C/C/5=C/CCCCCC5.[I-]
PubChem CID 6918496
Molecular Weight 655.44

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.

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📊 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

Associated Targets(Human)
CCR3 Tchem C-C chemokine receptor type 3 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCR1 Tchem C-C chemokine receptor type 1 (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
SolubilitySolvent:DMSO, Max Conc. mg/mL: 65.54, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 32.77, Max Conc. mM: 50
Molecular Weight655.400 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass654.128 Da
Monoisotopic Mass654.128 Da
Topological Polar Surface Area38.300 Ų
Heavy Atom Count37
Formal Charge0
Complexity755.000
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 Count2
Solution Calculators
Reviews

Customer Reviews

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