MedKoo Cat#: 574435 | Name: J-113863
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Description:

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

J-113863 is an inhibitor of CCR1 and CCR3.

Chemical Structure

J-113863
J-113863
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

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 550.00 2 Weeks
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Related CAS #
No Data
Synonym
J-113863, J113863, J 113863, UCB-35625, UCB35625, 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 Key
UADIUMALIYGKHV-TVMVFDHZSA-N
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-]
Appearance
Solid powder
Purity
>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).
Solubility
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,310.88 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.

Recalculate based on batch purity %
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
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