GAT100

    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.


Chemical Structure

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GAT100
CAS# 1663564-42-8

Theoretical Analysis

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

Size Price Shipping out time Quantity
Inquire bulk and customized quantity

Pricing updated 2021-03-03. Prices are subject to change without notice.

GAT100 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.

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

Handling Instructions:

Preparing Stock Solutions

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.

Select a batch to recalculate based on the batch molecular weight:
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

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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.