CAS 1255517-77-1

4-Quinazolinamine, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-, hydrate (1:1)

Description:

4-Quinazolinamine, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-, hydrate (1:1) is a complex organic compound characterized by its quinazoline core structure, which is known for its diverse biological activities. This substance features multiple functional groups, including methoxy, piperidine, and pyrrolidine moieties, contributing to its potential pharmacological properties. The presence of cyclohexyl and propoxy groups enhances its lipophilicity, which may influence its absorption and distribution in biological systems. As a hydrate, it contains water molecules in its crystalline structure, which can affect its solubility and stability. The compound is likely to exhibit interactions with various biological targets, making it of interest in medicinal chemistry and drug development. Its specific applications and efficacy would depend on further studies, including in vitro and in vivo evaluations. Overall, this compound exemplifies the complexity and potential of synthetic organic molecules in therapeutic contexts.

Formula: C₃₀H₄₇N₅O₂·H₂O

InChI: InChI=1S/C30H47N5O2.H2O/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23;/h20-24H,4-19H2,1-3H3,(H,31,32,33);1H2

InChI key: InChIKey=LLJGACAJGYXBTL-UHFFFAOYSA-N

SMILES: N(C=1C2=C(N=C(N1)C3CCCCC3)C=C(OCCCN4CCCC4)C(OC)=C2)C5CCN(C(C)C)CC5.O

Synonyms:

• 4-Quinazolinamine, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-, hydrate (1:1)

UNC0638 hydrate

CAS: 1255517-77-1

UNC0638 hydrate selectively inhibits G9a and GLP histone methyltransferases with IC50 values of 15 nM and 19 nM, respectively. It is effective in inhibiting invasion and migration of TNBC cells in vitro. Additionally, UNC0638 hydrate acts as an inhibitor of EHMT1/2 and induces the expression of fetal hemoglobin (HbF) in cultures of human erythroid progenitor cells. Furthermore, it exhibits antiviral activity against FMDV (foot-and-mouth disease virus) and VSV (vesicular stomatitis virus), demonstrating remarkable potency and selectivity across various epigenetic and non-epigenetic targets.

Formula: C₃₀H₄₉N₅O₃

Color and Shape: Solid

Molecular weight: 527.74

Ref: TM-T201048