111188-71-7 Usage
Chemical structure
A compound with a benzothiazepinone core, an acetyloxy group at position 3, a dimethylaminoethyl group at position 5, and a 4-methoxyphenyl group at position 2.
Stereochemistry
The compound has a (2R-trans)configuration, indicating the arrangement of atoms in three-dimensional space.
Potential pharmacological properties
The structure of the compound suggests that it may have potential pharmacological properties, making it a candidate for further research and development.
Drug development
The compound's structure could be used as a basis for the development of new drugs targeting specific biological pathways.
Molecular weight
The molecular weight of the compound is approximately 408.5 g/mol.
Functional groups
The compound contains several functional groups, including an acetyloxy group, a dimethylamino group, and a methoxy group.
Stability
The stability of the compound under different conditions (e.g., temperature, pH, light exposure) may be influenced by its chemical structure and functional groups.
Synthesis
The synthesis of the compound may involve multiple steps, including the formation of the benzothiazepinone core, introduction of the acetyloxy group, attachment of the dimethylaminoethyl group, and incorporation of the 4-methoxyphenyl group.
Biological activity
The compound's potential biological activity may be investigated through in vitro and in vivo assays to determine its efficacy and safety as a drug candidate.
Structure-activity relationship (SAR)
The study of the relationship between the compound's structure and its biological activity can help guide the design of more potent and selective drug candidates.
Patentability
The compound's unique structure and potential pharmacological properties may make it eligible for patent protection, providing an incentive for further research and development.
Check Digit Verification of cas no
The CAS Registry Mumber 111188-71-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,1,8 and 8 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 111188-71:
(8*1)+(7*1)+(6*1)+(5*1)+(4*8)+(3*8)+(2*7)+(1*1)=97
97 % 10 = 7
So 111188-71-7 is a valid CAS Registry Number.
111188-71-7Relevant articles and documents
Stereoselective addition of 2-aminothiophenol to α-alkoxycinnamic acid derivatives - Alternative synthesis of (±)-diltiazem
Miyata, Okiko,Shinada, Tetsuro,Naito, Takeaki,Ninomiya, Ichiya,Date, Tadamasa,Okamura, Kimio
, p. 8119 - 8128 (2007/10/02)
A stereocontrolled synthesis of (±)-diltiazem by applying nucleophilic addition of 2-aminothiophenol to α-alkoxycinnamic acid derivatives is described.
Synthesis of the optically active trans-isomers of diltiazem and their cardiovascular effects and Ca-antagonistic activity
Tanaka,Inoue,Date,Okamura,Aoe,Takeda,Kugita,Murata,Yamaguchi,Kikkawa,Nakajima,Nagao
, p. 1476 - 1480 (2007/10/02)
Optically active trans-isomers of diltiazem were synthesized and their cardiovascular effects were evaluated in anesthetized dogs and in isolated guinea pig hearts. Both (+)-2 (2R,3S) and (-)-2 (2S,3R) were much less active than diltiazem (1, 2S,3S) with
