MedKoo Cat#: 562741 | Name: AF64394
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Description:

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

AF64394 is a selective GPR3 Inverse Agonist. It is the first small molecule inhibitor of GPR3 receptor function.

Chemical Structure

AF64394
AF64394
CAS#1637300-25-4

Theoretical Analysis

MedKoo Cat#: 562741

Name: AF64394

CAS#: 1637300-25-4

Chemical Formula: C21H20ClN5O

Exact Mass: 393.1350

Molecular Weight: 393.87

Elemental Analysis: C, 64.04; H, 5.12; Cl, 9.00; N, 17.78; O, 4.06

Price and Availability

Size Price Availability Quantity
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
1g USD 4,250.00 2 Weeks
2g USD 6,450.00 2 Weeks
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Related CAS #
No Data
Synonym
AF64394; AF-64394; AF 64394;
IUPAC/Chemical Name
(4-Chloro-2-isopropoxy-benzyl)-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
InChi Key
WBYNZQXAAWPAGR-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H20ClN5O/c1-14(2)28-19-10-17(22)9-8-16(19)12-23-20-11-18(15-6-4-3-5-7-15)26-21-24-13-25-27(20)21/h3-11,13-14,23H,12H2,1-2H3
SMILES Code
CC(OC1=CC(Cl)=CC=C1CNC2=CC(C3=CC=CC=C3)=NC4=NC=NN24)C
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 393.87 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
1: Bharathi, Roy KK. Structural basis for the binding of a selective inverse agonist AF64394 with the human G-protein coupled receptor 3 (GPR3). J Biomol Struct Dyn. 2022;40(20):10181-10190. doi: 10.1080/07391102.2021.1940282. Epub 2021 Jun 23. PMID: 34157950. 2: Jensen T, Elster L, Nielsen SM, Poda SB, Loechel F, Volbracht C, Klewe IV, David L, Watson SP. The identification of GPR3 inverse agonist AF64394; the first small molecule inhibitor of GPR3 receptor function. Bioorg Med Chem Lett. 2014 Nov 15;24(22):5195-8. doi: 10.1016/j.bmcl.2014.09.077. Epub 2014 Oct 2. PMID: 25442311.