MedKoo Cat#: 555845 | Name: Benpyrine racemate
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Description:

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

(Rac)-Benpyrine is a racemate of Benpyrine. (Rac)-Benpyrine is a potent and orally active TNF-α inhibitor and has the potential for TNF-α mediated inflammatory and autoimmune disease research.

Chemical Structure

Benpyrine racemate
Benpyrine racemate
CAS#1333714-43-4

Theoretical Analysis

MedKoo Cat#: 555845

Name: Benpyrine racemate

CAS#: 1333714-43-4

Chemical Formula: C16H16N6O

Exact Mass: 308.1386

Molecular Weight: 308.35

Elemental Analysis: C, 62.32; H, 5.23; N, 27.26; O, 5.19

Price and Availability

Size Price Availability Quantity
100mg USD 1,050.00 2 Weeks
200mg USD 1,650.00 2 Weeks
500mg USD 2,650.00 2 Weeks
1g USD 3,450.00 2 Weeks
2g USD 6,250.00 2 Weeks
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Related CAS #
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Synonym
Benpyrine racemate; (Rac)-Benpyrine;
IUPAC/Chemical Name
4-((9H-purin-6-yl)amino)-1-benzylpyrrolidin-2-one
InChi Key
HUWOMAVUXTXEKT-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H16N6O/c23-13-6-12(8-22(13)7-11-4-2-1-3-5-11)21-16-14-15(18-9-17-14)19-10-20-16/h1-5,9-10,12H,6-8H2,(H2,17,18,19,20,21)
SMILES Code
O=C1N(CC2=CC=CC=C2)CC(NC3=C4N=CNC4=NC=N3)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
>3 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 308.35 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
Sun W, Wu Y, Zheng M, Yang Y, Liu Y, Wu C, Zhou Y, Zhang Y, Chen L, Li H. Discovery of an Orally Active Small-Molecule Tumor Necrosis Factor-α Inhibitor. J Med Chem. 2020 Aug 13;63(15):8146-8156. doi: 10.1021/acs.jmedchem.0c00377. Epub 2020 Jul 30. PMID: 32667202.