WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 561745
CAS#: 847727-81-5
Description: AAT-008 is an antagonist for the PGE2 receptor EP4.
MedKoo Cat#: 561745
Name: AAT-008
CAS#: 847727-81-5
Chemical Formula: C21H16ClFN2O4
Exact Mass: 414.0783
Molecular Weight: 414.81
Elemental Analysis: C, 60.81; H, 3.89; Cl, 8.55; F, 4.58; N, 6.75; O, 15.43
Synonym: AAT-008; AAT 008; AAT008;
IUPAC/Chemical Name: 4-[(1S)-1-[[[5-Chloro-2-(3-fluorophenoxy)-3-pyridinyl]carbonyl]amino]ethyl]-benzoic acid
InChi Key: FKXDPPYCCKCVCW-LBPRGKRZSA-N
InChi Code: InChI=1S/C21H16ClFN2O4/c1-12(13-5-7-14(8-6-13)21(27)28)25-19(26)18-9-15(22)11-24-20(18)29-17-4-2-3-16(23)10-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
SMILES Code: O=C(O)C1=CC=C([C@@H](NC(C2=CC(Cl)=CN=C2OC3=CC=CC(F)=C3)=O)C)C=C1
Appearance: Solid powder
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: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
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 414.81 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: Okumura Y, Yamagishi T, Nukui S, Nakao K. Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist. Bioorg Med Chem Lett. 2017 Mar 1;27(5):1186-1192. doi: 10.1016/j.bmcl.2017.01.067. Epub 2017 Jan 25. PubMed PMID: 28169162.
