MedKoo Cat#: 124727 | Name: Nurr1 agonist 2
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Description:

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

Nurr1 agonist 3 (Compound 7) is a Nurr1 agonist.

Chemical Structure

Nurr1 agonist 2
Nurr1 agonist 2
CAS#742058-34-0

Theoretical Analysis

MedKoo Cat#: 124727

Name: Nurr1 agonist 2

CAS#: 742058-34-0

Chemical Formula: C18H14O3S

Exact Mass: 310.0664

Molecular Weight: 310.37

Elemental Analysis: C, 69.66; H, 4.55; O, 15.46; S, 10.33

Price and Availability

Size Price Availability Quantity
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,650.00 2 Weeks
1g USD 3,650.00 2 Weeks
2g USD 5,650.00 2 Weeks
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Related CAS #
No Data
Synonym
Nurr1 agonist 2; Nurr1-agonist-2; Nurr1 agonist-2; SCHEMBL6029886; AKOS004118938
IUPAC/Chemical Name
5-(4-phenylmethoxyphenyl)thiophene-2-carboxylic acid
InChi Key
BRNQGIMGJSDTMI-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H14O3S/c19-18(20)17-11-10-16(22-17)14-6-8-15(9-7-14)21-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)
SMILES Code
O=C(C1=CC=C(C2=CC=C(OCC3=CC=CC=C3)C=C2)S1)O
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 310.37 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
Ballarotto M, Willems S, Stiller T, Nawa F, Marschner JA, Grisoni F, Merk D. De Novo Design of Nurr1 Agonists via Fragment-Augmented Generative Deep Learning in Low-Data Regime. J Med Chem. 2023 Jun 22;66(12):8170-8177. doi: 10.1021/acs.jmedchem.3c00485. Epub 2023 May 31. PMID: 37256819; PMCID: PMC10291550.