MedKoo Cat#: 124604 | Name: Antitumor agent-109
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Description:

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

Antitumor agent-109 (compound 6) is an inhibitor of hyaluronic acid (HY-B0633A) targeting to CD44.

Chemical Structure

Antitumor agent-109
Antitumor agent-109
CAS#3052354-70-5

Theoretical Analysis

MedKoo Cat#: 124604

Name: Antitumor agent-109

CAS#: 3052354-70-5

Chemical Formula: C19H22BrNO3

Exact Mass: 391.0783

Molecular Weight: 392.29

Elemental Analysis: C, 58.17; H, 5.65; Br, 20.37; N, 3.57; O, 12.23

Price and Availability

Size Price Availability Quantity
100mg USD 1,250.00 2 Weeks
200mg USD 2,050.00 2 Weeks
500mg USD 3,250.00 2 Weeks
1g USD 4,650.00 2 Weeks
2g USD 6,950.00 2 Weeks
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Related CAS #
No Data
Synonym
Antitumor agent-109; Antitumor agent109; Antitumor agent 109; compound 6; HA-CD44 interaction inhibitor 1
IUPAC/Chemical Name
5-bromo-2-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline
InChi Key
MGXKYGMIEHKJAA-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H22BrNO3/c1-22-17-9-13(10-18(23-2)19(17)24-3)11-21-8-7-15-14(12-21)5-4-6-16(15)20/h4-6,9-10H,7-8,11-12H2,1-3H3
SMILES Code
COC1=C(OC)C(OC)=CC(CN2CC3=C(C(Br)=CC=C3)CC2)=C1
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 392.29 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
Espejo-Román JM, Rubio-Ruiz B, Chayah-Ghaddab M, Vega-Gutierrez C, García-García G, Muguruza-Montero A, Domene C, Sánchez-Martín RM, Cruz-López O, Conejo-García A. N-aryltetrahydroisoquinoline derivatives as HA-CD44 interaction inhibitors: Design, synthesis, computational studies, and antitumor effect. Eur J Med Chem. 2023 Oct 5;258:115570. doi: 10.1016/j.ejmech.2023.115570. Epub 2023 Jun 26. PMID: 37413883.