N-[13-(3-{[1,3-Dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzimidazol-5-yl]sulfamoyl}phenyl)-13-oxo-3,6,9-trioxa-12-azatridecan-1-oyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiaz ol-5-yl)benzyl]-L-prolinamide | CAS No. 2170695-14-2

N-[13-(3-{[1,3-Dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzimidazol-5-yl]sulfamoyl}phenyl)-13-oxo-3,6,9-trioxa-12-azatridecan-1-oyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiaz ol-5-yl)benzyl]-L-prolinamide

Basic Information

CAS Number

2170695-14-2

Molecular Formula

C55H68N8O13S2

Molecular Weight

1113.33 g/mol

AD

Basic Physical Properties

CCCOc1cccc(c1)Oc2cc3c(cc2NS(=O)(=O)c4cccc(c4)C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCc6ccc(cc6)c7c(ncs7)C)O)C(C)(C)C)n(c(=O)n3C)C

InChI

InChI=1S/C55H68N8O13S2/c1-8-20-75-40-12-10-13-41(28-40)76-47-30-45-44(61(6)54(69)62(45)7)29-43(47)60-78(70,71)42-14-9-11-38(26-42)51(66)56-19-21-72-22-23-73-24-25-74-33-48(65)59-50(55(3,4)5)53(68)63-32-39(64)27-46(63)52(67)57-31-36-15-17-37(18-16-36)49-35(2)58-34-77-49/h9-18,26,28-30,34,39,46,50,60,64H,8,19-25,27,31-33H2,1-7H3,(H,56,66)(H,57,67)(H,59,65)/t39-,46+,50-/m1/s1

InChIKey

QUQTXFIMYFMULC-OGOZKGDESA-N

LogP

5.279520000000008

Topological Polar Surface Area

259.97999999999996 Ų

Hydrogen Bond Donor/Acceptor

5 / 21

Complexity

2080

Synonyms & References

English

  • dTRIM24
  • dTRIM 24
  • GTPL10536
  • (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]sulfamoyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3

MDL Number

MFCD31692370

FAQ

What is N-[13-(3-{[1,3-Dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzimidazol-5-yl]sulfamoyl}phenyl)-13-oxo-3,6,9-trioxa-12-azatridecan-1-oyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide (CAS: 2170695-14-2)?

This compound is a complex organic molecule with a unique structure. It contains elements such as carbon, hydrogen, oxygen, nitrogen, sulfur, and possibly other trace elements. Its chemical structure includes a benzimidazole ring, a sulfamoyl group, and other functional groups. It is primarily used in pharmaceutical research and development due to its potential biological activities.

What are the main uses of N-[13-(3-{[1,3-Dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzimidazol-5-yl]sulfamoyl}phenyl)-13-oxo-3,6,9-trioxa-12-azatridecan-1-oyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide (CAS: 2170695-14-2)?

The primary uses of this compound are in pharmaceutical research and development, particularly in the study of potential drug candidates for diseases such as cancer, inflammatory conditions, and other pathologies. It may also be used in academic and industrial research to explore new chemical structures and their biological activities.

Is N-[13-(3-{[1,3-Dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzimidazol-5-yl]sulfamoyl}phenyl)-13-oxo-3,6,9-trioxa-12-azatridecan-1-oyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide (CAS: 2170695-14-2) safe?

The safety of this compound depends on the context of its use. In laboratory settings, it should be handled with appropriate personal protective equipment (PPE) and handled in a fume hood to minimize exposure. It is important to follow all safety guidelines provided by the manufacturer and regulatory bodies. Further toxicological studies may be necessary to fully understand its safety profile.

How should N-[13-(3-{[1,3-Dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzimidazol-5-yl]sulfamoyl}phenyl)-13-oxo-3,6,9-trioxa-12-azatridecan-1-oyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide (CAS: 2170695-14-2) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and sources of heat. It is recommended to store it in a tightly sealed container to prevent degradation. The storage temperature should be between 15-25°C (59-77°F) to ensure stability. It is advisable to keep it away from incompatible materials and to avoid exposure to moisture and air to maintain its integrity.

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