Synonym
KRO-105714; KRO105714; KRO 105714;
IUPAC/Chemical Name
N-(5-benzoyl-2-(4-(2-methoxyphenyl)piperazin-1-yl)thiazol-4-yl)pivalamide
InChi Key
AMMLHWSENDUVHR-UHFFFAOYSA-N
InChi Code
1S/C26H30N4O3S/c1-26(2,3)24(32)27-23-22(21(31)18-10-6-5-7-11-18)34-25(28-23)30-16-14-29(15-17-30)19-12-8-9-13-20(19)33-4/h5-13H,14-17H2,1-4H3,(H,27,32)
SMILES Code
COC1=CC=CC=C1N2CCN(CC2)C3=NC(NC(=O)C(C)(C)C)=C(S3)C(=O)C4=CC=CC=C4
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
478.61
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: Yoon SB, Lee CH, Kim HY, Jeong D, Jeon MK, Cho SA, Kim K, Lee T, Yang JY, Gong YD, Cho H. A novel sphingosylphosphorylcholine and sphingosine-1-phosphate receptor 1 antagonist, KRO-105714, for alleviating atopic dermatitis. J Inflamm (Lond). 2020 May 29;17:20. doi: 10.1186/s12950-020-00244-6. PMID: 32514255; PMCID: PMC7257206.
2: Song M, Lee D, Kim S, Bae JS, Lee J, Gong YD, Lee T, Lee S. Identification of metabolites of N-(5-benzoyl-2-(4-(2-methoxyphenyl)piperazin-1-yl)thiazol-4-yl)pivalamide including CYP3A4-mediated C-demethylation in human liver microsomes with high- resolution/high-accuracy tandem mass. Drug Metab Dispos. 2014 Aug;42(8):1252-60. doi: 10.1124/dmd.114.057570. Epub 2014 May 14. PMID: 24829290.
