3-({[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid | CAS No. 1345982-69-5

3-({[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid

Basic Information

CAS Number

1345982-69-5

Molecular Formula

C28H38N2O7S

Molecular Weight

546.69 g/mol

AD

Basic Physical Properties

CCCC[C@@]1(CC)N[C@H](c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)CNC(CC(=O)O)CC(=O)O

InChI

InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1

InChIKey

CZGVOBIGEBDYTP-VSGBNLITSA-N

LogP

3.908100000000002

Topological Polar Surface Area

142.03 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Synonyms & References

English

  • GSK2330672
  • 3-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1λ<sup>6</sup>,4-benzothiazepin-8-yl]methylamino]pentanedioic acid
  • GSK-2330672
  • Linerixibat

MDL Number

MFCD28386358

FAQ

What regulatory guidelines apply to 3-({[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid (CAS: 1345982-69-5)?

This compound may be subject to the Globally Harmonized System (GHS) for classification and labeling of chemicals. In the European Union, it would also fall under REACH regulations. For the United States, FDA and EPA regulations may apply, particularly for pharmaceutical and environmental safety concerns.

Are there alternatives to 3-({[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid (CAS: 1345982-69-5) in synthesis?

Alternative reagents include similar benzothiazepine derivatives with different side chains or functional groups. For instance, using 3-(2-aminoethyl)-1,4-benzothiazepine derivatives or related analogs could be viable alternatives.

What is the market or research trend for 3-({[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid (CAS: 1345982-69-5)?

Research trends suggest increased interest in this compound for its potential therapeutic applications, particularly in cardiovascular and neurological research. Market trends indicate growing demand from pharmaceutical industries, driven by advancements in drug discovery.

How should waste containing 3-({[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid (CAS: 1345982-69-5) be handled?

Waste should be collected in approved containers and disposed of through professional waste disposal services. Incineration, neutralization, or other appropriate methods should be used to ensure environmental safety. Compliance with local and international regulations is crucial.

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