MedKoo Cat#: 465682 | Name: IHCH-3064

Description:

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

IHCH-3064 is a dual-Acting Compounds Targeting Adenosine A2A Receptor and Histone Deacetylase as Novel Tumor Immunotherapeutic Agent. IHCH-3064 exhibited potent binding to A2AR (Ki = 2.2 nM) and selective inhibition of HDAC1 (IC50 = 80.2 nM), with good antiproliferative activity against tumor cell lines in vitro. Intraperitoneal administration of IHCH-3064 (60 mg/kg, bid) inhibited mouse MC38 tumor growth with a tumor growth inhibition rate of 95.3%. These results showed that dual-acting compounds targeting A2AR and HDAC are potentially immunotherapeutic agents that are worth further exploring.

Chemical Structure

IHCH-3064
IHCH-3064
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465682

Name: IHCH-3064

CAS#: unknown

Chemical Formula: C25H21N9O2

Exact Mass: 479.1818

Molecular Weight: 479.50

Elemental Analysis: C, 62.62; H, 4.41; N, 26.29; O, 6.67

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
IHCH-3064; IHCH3064; IHCH 3064;
IUPAC/Chemical Name
4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)-N-(2-aminophenyl)benzamide
InChi Key
DZRIVOQHNGLBGP-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H21N9O2/c26-18-4-1-2-5-19(18)29-24(35)16-9-7-15(8-10-16)11-12-33-22-17(14-28-33)23-30-21(20-6-3-13-36-20)32-34(23)25(27)31-22/h1-10,13-14H,11-12,26H2,(H2,27,31)(H,29,35)
SMILES Code
O=C(NC1=CC=CC=C1N)C2=CC=C(CCN3N=CC4=C3N=C(N)N5C4=NC(C6=CC=CO6)=N5)C=C2
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
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 479.50 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: Yan W, Ling L, Wu Y, Yang K, Liu R, Zhang J, Zhao S, Zhong G, Zhao S, Jiang H, Xie C, Cheng J. Structure-Based Design of Dual-Acting Compounds Targeting Adenosine A2A Receptor and Histone Deacetylase as Novel Tumor Immunotherapeutic Agents. J Med Chem. 2021 Nov 16. doi: 10.1021/acs.jmedchem.1c01155. Epub ahead of print. PMID: 34783558.