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N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide(CAS: 755038-65-4)

N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide
CAS Number

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Basic Information

Molecular Formula
C34H50N8O3
Molecular Weight
618.83 g/mol

Physical Properties

Density
1.26

Chemical Identifiers

SMILES
CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)OC)C
InChIKey
SXNJFOWDRLKDSF-STROYTFGSA-N

Database References

MDL Number
MFCD20926414

FAQ

This compound is a solid with a crystalline form. Its molecular weight is approximately 747.9 g/mol. It has low solubility in water but is more soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). The compound is reactive, particularly towards nucleophiles, and shows weak basicity due to the piperazine group and pteridine ring system.
The compound is synthesized through multistep reactions involving cyclization of piperazinyl and pteridinyl groups. Common synthetic routes include amidation of an intermediate piperazine ring with a pteridinyl derivative. The reaction typically requires a base such as triethylamine and is carried out in a suitable organic solvent. The yield can range from 50-70% depending on the purification steps.
This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It may also find applications in the development of novel sensors and as a research tool in biochemical studies. Its specialized structure makes it suitable for targeted drug delivery systems and as a probe for studying receptor interactions.
Handle the compound with care in a well-ventilated area, preferably under a fume hood. Wear appropriate personal protective equipment (PPE) including gloves, lab coat, and safety glasses. Avoid skin contact and inhalation. Spills should be cleaned up using absorbent material and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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