WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 408195
CAS#: 1093380-42-7
Description: AD-57, also known as KIRA 1, is an IRE1 inhibitor for cancer inflammation autoimmune disease therapy.
MedKoo Cat#: 408195
Name: AD-57
CAS#: 1093380-42-7
Chemical Formula: C22H20F3N7O
Exact Mass: 455.1681
Molecular Weight: 455.4452
Elemental Analysis: C, 58.02; H, 4.43; F, 12.51; N, 21.53; O, 3.51
Synonym: AD-57; AD 57; AD57; KIRA 1; KIRA-1; KIRA1;
IUPAC/Chemical Name: Urea, N-[4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-N′-[3-(trifluoromethyl)phenyl]-
InChi Key: LEERPLGXOHLQPF-UHFFFAOYSA-N
InChi Code: InChI=1S/C22H20F3N7O/c1-12(2)32-20-17(19(26)27-11-28-20)18(31-32)13-6-8-15(9-7-13)29-21(33)30-16-5-3-4-14(10-16)22(23,24)25/h3-12H,1-2H3,(H2,26,27,28)(H2,29,30,33)
SMILES Code: O=C(NC1=CC=CC(C(F)(F)F)=C1)NC2=CC=C(C3=NN(C(C)C)C4=NC=NC(N)=C43)C=C2
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
The following data is based on the product molecular weight 455.4452 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 |
