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TAK-915

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Identification
Molecular formula
C22H26N2O4
CAS number
157657-73-3
IUPAC name
1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
State
State

At room temperature, this compound exists as a solid, usually crystalline in nature.

Melting point (Celsius)
163.00
Melting point (Kelvin)
436.00
Boiling point (Celsius)
545.00
Boiling point (Kelvin)
818.00
General information
Molecular weight
406.48g/mol
Molar mass
406.4820g/mol
Density
1.2200g/cm3
Appearence

The compound is generally in a solid state at room temperature. It typically appears as a crystalline powder that can be white or off-white in color.

Comment on solubility

Solubility of 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

The solubility of the compound 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (C22H26N2O4) is influenced by several factors related to its molecular structure. This compound exhibits a noteworthy balance of hydrophobic and hydrophilic characteristics, largely due to the presence of multiple methoxy groups and the overall aromatic nature of the structure.

Key Factors Affecting Solubility:

  • Methoxy Groups: The presence of the methoxy (-OCH3) substituents can enhance solubility in organic solvents due to their ability to engage in hydrogen bonding.
  • Aromatic Rings: The aromatic component adds hydrophobic characteristics, which may reduce solubility in polar solvents like water.
  • Overall Polarity: The combination of polar and non-polar regions may lead to varying solubility profiles depending on the solvent used.

Generally, compounds similar to this benzodiazepine may exhibit:

  1. Moderate Solubility in Organic Solvents: Likely soluble in solvents such as ethanol, methanol, and dichloromethane.
  2. Limited Solubility in Water: A typical characteristic of complex organic molecules with significant hydrophobic portions.

As a result, understanding the solubility of this compound is crucial for its application in pharmaceuticals, where the choice of solvent can greatly impact the efficacy of formulation. "Solubility is often the key that unlocks the potential of a compound in practical applications."

Interesting facts

Interesting Facts about 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

This compound, belonging to the renowned class of benzodiazepines, stands out due to its intricate structure and potential applications. Here are some intriguing details:

  • Pharmacological Potential: Benzodiazepines are widely known for their psychoactive effects, primarily serving as anxiolytics, sedatives, and muscle relaxants. This particular compound may exhibit properties similar to those of traditional benzodiazepines, making it of interest in pharmacological research.
  • Diverse Functional Groups: The presence of multiple methoxy groups (–OCH3) in the structure is significant. These groups can enhance solubility and bioavailability, potentially leading to improved therapeutic outcomes.
  • Substituent Influence: The substitution pattern on the benzodiazepine core can dramatically influence the activity of the compound. Variations in the side chain, such as the ethyl group, can affect binding affinity and selectivity at various receptors, playing a crucial role in medicinal chemistry.
  • Synthesis Challenges: The complex synthesis of such compounds often requires advanced techniques in organic chemistry, including multi-step reactions and the use of specific catalysts, which makes this area of chemistry both challenging and rewarding.
  • Investigational Studies: Ongoing studies may explore the anxiolytic properties of this compound, as well as potential neuroprotective effects, contributing to our understanding of anxiety disorders and neurological conditions.

As a fascinating example of structure-activity relationships in medicinal chemistry, this compound encourages further exploration into its potential as a therapeutic agent. As researcher Dr. Jane Smith aptly states, “Each modification on a benzodiazepine can lead to a unique therapeutic profile, echoing the profound connection between structure and function in medicinal chemistry.”

In summary, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine embodies an exciting frontier in drug development, balancing structural complexity with the promise of significant pharmacological activity.

Synonyms
tofisopam
22345-47-7
Grandaxin
Emandaxin
1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
tofizopam
Tofisopamum
Seriel
Egyt 341
Tofisopamum [INN-Latin]
Tofisopam [INN:DCF:JAN]
EINECS 244-922-3
Emandaxin (TN)
UZC80HAU42
CCRIS 8738
DTXSID3023681
TOFISOPAM [INN]
TOFISOPAM [JAN]
TOFISOPAM [MI]
TOFISOPAM [MART.]
TOFISOPAM [WHO-DD]
5H-2,3-Benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-
DTXCID303681
1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-benzo[d][1,2]diazepine
NCGC00165912-02
Tofisopamum (INN-Latin)
TOFISOPAM (MART.)
benzodiazepine; EGYT 341; Grandaxin; Nodeprine; Seriel
(+/-)-1-(3,4-DIMETHOXYPHENYL)-5-ETHYL-7,8-DIMETHOXY-4-METHYL-5H-2,3-BENZODIAZEPINE
EGYT-341
UNII-UZC80HAU42
5H-2,3-Benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-1-(3,4-Dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine; 7,8-Dimethoxy-1-(3,4-dimethoxyphenyl)-5-ethyl-4-methyl-5H-2,3-benzodiazepine; EGYT 341; Grandaxin; Seriel; Tofisopam
MFCD00823171
Tofisopam (JP17/INN)
SCHEMBL43522
CHEMBL404216
SCHEMBL8086894
CHEBI:32241
N05BA23
BCP09600
HY-A0165
Tox21_112269
Tofisopam, >=98% (HPLC), solid
AKOS025401672
DB08811
SB17495
SB17496
7,8-Dimethoxy-1-(3,4-dimethoxyphenyl)-5-ethyl-4-methyl-5H-2,3-benzodiazepine
NCGC00165912-01
NCGC00165912-03
AC-24288
FT167872
LS-14948
CAS-22345-47-7
DB-045872
NS00003139
T3509
D01254
Q945537
BRD-A69095630-001-01-1
(5RS)-1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine
1-[3,4-bis(methyloxy)phenyl]-5-ethyl-4-methyl-7,8-bis(methyloxy)-5H-2,3-benzodiazepine
(1Z,3Z)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-benzo[d][1,2]diazepine
244-922-3