Synonym
CCT369834; CCT 369834; CCT-369834
IUPAC/Chemical Name
propyl 2-((S)-6-((4-(((((S,E)-cyclooct-4-en-1-yl)oxy)carbonyl)amino)but-2-yn-1-yl)(methyl)amino)-3-(3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamido)hexanamido)-4-methylthiazole-5-carboxylate
InChi Key
FZVDORMMEQQTHN-YMKWRMSOSA-N
InChi Code
InChI=1S/C38H49N7O7S/c1-5-23-50-36(48)33-26(2)40-37(53-33)43-32(46)25-30(42-35(47)29-16-13-15-28(24-29)34-41-27(3)52-44-34)17-14-22-45(4)21-12-11-20-39-38(49)51-31-18-9-7-6-8-10-19-31/h6-7,13,15-16,24,30-31H,5,8-10,14,17-23,25H2,1-4H3,(H,39,49)(H,42,47)(H,40,43,46)/b7-6+/t30-,31+/m0/s1
SMILES Code
O=C(C1=C(C)N=C(NC(C[C@@H](NC(C2=CC=CC(C3=NOC(C)=N3)=C2)=O)CCCN(CC#CCNC(O[C@@H]4CC/C=C/CCC4)=O)C)=O)S1)OCCC
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
747.91
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. Saint-Dizier F, Matthews TP, Gregson AM, Prevet H, McHardy T, Colombano G, Saville H, Rowlands M, Ewens C, McAndrew PC, Tomlin K, Guillotin D, Mak GW, Drosopoulos K, Poursaitidis I, Burke R, van Montfort R, Linardopoulos S, Collins I. Discovery of 2-(3-Benzamidopropanamido)thiazole-5-carboxylate Inhibitors of the Kinesin HSET (KIFC1) and the Development of Cellular Target Engagement Probes. J Med Chem. 2023 Feb 23;66(4):2622-2645. doi: 10.1021/acs.jmedchem.2c01591. Epub 2023 Feb 7. PMID: 36749938; PMCID: PMC9969401.
