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.
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
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 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-]
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.
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