(2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid | CAS No. 501692-44-0

(2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid

Basic Information

CAS Number

501692-44-0

Molecular Formula

C37H48N4O8S2

Molecular Weight

740.95 g/mol

AD

Basic Physical Properties

CC[C@H](NC(=O)[C@H](NC(=O)COC1C=C2C(=CC=1SC)N(CC(CCCC)(CCCC)NS2(=O)=O)C1C=CC=CC=1)C1C=CC(O)=CC=1)C(O)=O

InChI

InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1

InChIKey

XULSCZPZVQIMFM-IPZQJPLYSA-N

LogP

5.879000000000007

Topological Polar Surface Area

174.36999999999998 Ų

Hydrogen Bond Donor/Acceptor

5 / 12

Complexity

1230

Synonyms & References

English

  • Odevixibat
  • 2W150K0UUC
  • Odevixibat (USAN)
  • Odevixibat [USAN]
  • A4250
  • BDBM77040
  • AZD8294
  • WHO 10706
  • D11716
  • US9694018, 5
  • Butanoic acid, 2-(((2R)-2-((2-((3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,2,5-benzothiadiazepin-8-yl)oxy)acetyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-, (2S)-
  • Butanoic acid, 2-(((2R)-((((3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,2,5-benzothiadia

FAQ

What is (2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid (CAS: 501692-44-0)?

(2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid is a complex organic compound with a unique structure. It features a benzothiadiazepine core, making it suitable for various applications in the pharmaceutical and research fields. This compound is characterized by its stability and specific functional groups, which contribute to its unique properties.

What are the main uses of (2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid (CAS: 501692-44-0)?

(2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid is primarily used in the pharmaceutical industry for developing new drugs and in research for studying biological processes, due to its specific chemical structure and reactivity. It may also have applications in other industries, although detailed information on these is limited.

Is (2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid (CAS: 501692-44-0) safe?

(2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid is generally considered safe for its intended use in the pharmaceutical industry. However, it is important to follow all safety guidelines and use appropriate protective equipment. Precautions should be taken to avoid contact with skin and eyes, and proper disposal methods should be used to minimize environmental impact.

How should (2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid (CAS: 501692-44-0) be stored?

(2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid should be stored at room temperature (15-30°C), in a dry place, protected from light. It is advisable to use a sealed container to prevent moisture absorption. Avoid storing it in close proximity to incompatible substances, such as strong acids or bases, to prevent chemical reactions that could lead to degradation or safety hazards.

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