WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 522513
CAS#: 1663564-42-8
Description: GAT100 is a potent and covalent negative allosteric modulator (NAM). GAT-100 behaved as a robust positive allosteric modulator of binding of orthosteric agonist CP55,940. This novel covalent probe can serve as a useful tool for characterizing CB1R allosteric ligand-binding motifs.
MedKoo Cat#: 522513
Name: GAT100
CAS#: 1663564-42-8
Chemical Formula: C25H28N4OS
Exact Mass: 432.1983
Molecular Weight: 432.59
Elemental Analysis: C, 69.41; H, 6.52; N, 12.95; O, 3.70; S, 7.41
Synonym: GAT100; GAT-100; GAT 100.
IUPAC/Chemical Name: 3-ethyl-5-isothiocyanato-N-(4-(piperidin-1-yl)phenethyl)-1H-indole-2-carboxamide
InChi Key: YIYLMDVRSNXYOT-UHFFFAOYSA-N
InChi Code: InChI=1S/C25H28N4OS/c1-2-21-22-16-19(27-17-31)8-11-23(22)28-24(21)25(30)26-13-12-18-6-9-20(10-7-18)29-14-4-3-5-15-29/h6-11,16,28H,2-5,12-15H2,1H3,(H,26,30)
SMILES Code: O=C(C(N1)=C(CC)C2=C1C=CC(N=C=S)=C2)NCCC3=CC=C(N4CCCCC4)C=C3
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, not in water
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 432.59 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: Kulkarni PM, Kulkarni AR, Korde A, Tichkule RB, Laprairie RB, Denovan-Wright
EM, Zhou H, Janero DR, Zvonok N, Makriyannis A, Cascio MG, Pertwee RG, Thakur GA.
Novel Electrophilic and Photoaffinity Covalent Probes for Mapping the Cannabinoid
1 Receptor Allosteric Site(s). J Med Chem. 2015 Nov 28. [Epub ahead of print]
PubMed PMID: 26529344.
