Synonym
KAI-11101; KAI11101; KAI 11101
IUPAC/Chemical Name
3-(6-amino-5-(difluoromethoxy)pyridin-3-yl)-6-((1R,2S)-4,4-difluoro-2-methoxycyclohexyl)-1-ethyl-1,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one
InChi Key
CRPLYULVRFEDKV-HIFRSBDPSA-N
InChi Code
InChI=1S/C21H23F4N5O3/c1-3-30-17-12(16(28-30)11-8-14(33-20(22)23)18(26)27-10-11)5-7-29(19(17)31)13-4-6-21(24,25)9-15(13)32-2/h5,7-8,10,13,15,20H,3-4,6,9H2,1-2H3,(H2,26,27)/t13-,15+/m1/s1
SMILES Code
FC1(F)CC[C@@H](N2C(C(N(CC)N=C3C4=CN=C(N)C(OC(F)F)=C4)=C3C=C2)=O)[C@@H](OC)C1
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
469.44
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 |
Lagiakos HR, Zou Y, Igawa H, Therrien E, Lawrenz M, Kato M, Svensson M, Gray F, Jensen K, Dahlgren MK, Pelletier RD, Dingley K, Bell JA, Liu Z, Jiang Y, Zhou H, Skene RJ, Nie Z. In Silico Enabled Discovery of KAI-11101, a Preclinical DLK Inhibitor for the Treatment of Neurodegenerative Disease and Neuronal Injury. J Med Chem. 2024 Dec 13. doi: 10.1021/acs.jmedchem.4c02074. Epub ahead of print. PMID: 39670820.
