WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 574435

CAS#: 353791-85-2

Description: J-113863 is an inhibitor of CCR1 and CCR3.

Chemical Structure

CAS# 353791-85-2

Theoretical Analysis

MedKoo Cat#: 574435
Name: J-113863
CAS#: 353791-85-2
Chemical Formula: C60H74Cl4I2N4O4
Exact Mass: 1308.2554
Molecular Weight: 1310.88
Elemental Analysis: C, 54.98; H, 5.69; Cl, 10.82; I, 19.36; N, 4.27; O, 4.88

Size Price Shipping out time Quantity
5mg USD 345 2 Weeks
10mg USD 575 2 Weeks
25mg USD 1045 2 Weeks
50mg USD 1615 2 Weeks
100mg USD 2555 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2021-03-05. Prices are subject to change without notice.

J-113863, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.

Synonym: J-113863, UCB-35625

IUPAC/Chemical Name: (1s,4s)-1-(((E)-cyclooct-1-en-1-yl)methyl)-4-(2,7-dichloro-9H-xanthene-9-carboxamido)-1-ethylpiperidin-1-ium iodide


InChi Code: InChI=1S/2C30H36Cl2N2O2.2HI/c2*1-2-34(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;;/h2*8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;2*1H/b2*21-8+;;/t2*24-,34+;;

SMILES Code: ClC1=CC=C(C2=C1)OC3=C(C2C(N[C@@H]4CC[N@@+](CC)(CC4)C/C5=C/CCCCCC5)=O)C=C(Cl)C=C3.ClC6=CC=C(C7=C6)OC8=C(C7C(N[C@H]9CC[N@+](CC)(CC9)C/C%10=C/CCCCCC%10)=O)C=C(Cl)C=C8.[I-].[I-]

Solid powder

>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Soluble in DMSO

Shelf Life:
>3 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:

Handling Instructions:

Preparing Stock Solutions

The following data is based on the product molecular weight 1310.88 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1) Naya et al (2001) Design, synthesis, and discovery of a novel CCR1 antagonist. J.Med.Chem. 44 1429 PMID: 11311066

2) Amat et al (2006) Pharmacological blockade of CCR1 ameliorates murine arthritis and alters cytokine networks in vivo. Br.J.Pharmacol. 149 666 PMID: 17016504