MedKoo Cat#: 408195 | Name: AD-57
Featured New

Description:

WARNING: This product is for research use only, not for human or veterinary use.

AD-57, also known as KIRA 1, is an IRE1 inhibitor for cancer inflammation autoimmune disease therapy.

Chemical Structure

AD-57
AD-57
CAS#1093380-42-7

Theoretical Analysis

MedKoo Cat#: 408195

Name: AD-57

CAS#: 1093380-42-7

Chemical Formula: C22H20F3N7O

Exact Mass: 455.1681

Molecular Weight: 455.45

Elemental Analysis: C, 58.02; H, 4.43; F, 12.51; N, 21.53; O, 3.51

Price and Availability

Size Price Availability Quantity
100mg USD 1,250.00 2 Weeks
1g USD 3,650.00 2 Weeks
2g USD 5,850.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 455.45 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.

Recalculate based on batch purity %
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
Dar AC, Das TK, Shokat KM, Cagan RL. Chemical genetic discovery of targets and anti-targets for cancer polypharmacology. Nature. 2012 Jun 6;486(7401):80-4. doi: 10.1038/nature11127. PMID: 22678283; PMCID: PMC3703503.