Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate | CAS No. 191671-46-2

Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate

Basic Information

CAS Number

191671-46-2

Molecular Formula

C20H29N4NaO9S2

Molecular Weight

556.6 g/mol

AD

Basic Physical Properties

C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H30N4O9S2.Na/c25-15(7-4-3-6-13-18-12(11-34-13)22-20(29)23-18)21-9-5-1-2-8-17(27)33-24-16(26)10-14(19(24)28)35(30,31)32;/h12-14,18H,1-11H2,(H,21,25)(H2,22,23,29)(H,30,31,32);/q;+1/p-1/t12-,13-,14?,18-;/m0./s1

InChIKey

JJGWLCLUQNFDIS-GTSONSFRSA-M

LogP

1.58690

Complexity

959

Synonyms & References

English

  • FT-0674770
  • Sulfo-N-succinimidyl 6-(biotinamido) hexanoate Sodium Salt(~90per cent)
  • Sulfo-N-succinimidyl 6-(biotinamido) hexanoate, sodium salt
  • Sulfosuccinimidyl-6-(biotinamido)hexanoate (sodium)
  • sodium;2,5-dioxo-1-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoyloxy]pyrrolidine-3-sulfonate
  • HY-W332335
  • W-200995
  • Sulfo-N-succinimidyl 6-(biotinamido) hexanoate Sodium Salt
  • 191671-46-2
  • DTXSID20405518
  • AKOS025394488
  • BP-23448
  • Sodium 2,5-dioxo-1-((6-(5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoyl)oxy)pyrrolidine-3-sulfonate
  • Biotinamidohexanoic acid 3-?sulfo-?N-?hydroxysuccinimide ester sodium salt
  • Sodium 2,5-dioxo-1-[(6-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexanoyl)oxy]pyrrolidine-3-sulfonate
  • CS-0443783
  • J-012389
  • Hexanoic acid,6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-,2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1)
  • BIOTINAMIDOHEXANOIC ACID 3-SULFO-N-HYDROXYSUCCINIMIDE ESTER SODIUM SALT
  • 6-[5-(2-Oxo-Hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoylamino]-hexanoic acid 3-hydroperoxys...
  • Hexanoic acid,6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]a...
  • Hexanoic acid,6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-,2,5-dioxo-3-sulfo-1-pyrr
  • Sulfo-N-succinimidyl
  • sodium,2,5-dioxo-1-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoyloxy]pyrrolidine-3-sulfonate
  • SULFO-NHS-LC-BIOTIN
  • BIOTIN-X, SSE, SODIUM SALT
  • SULFO-NHS-LC-BIOTIN, SODIUM SALT
  • SULFOSUCCINIMIDYL 6-(BIOTINAMIDO)HEXANOATE
  • SULFOSUCCINIMIDYL-6-(BIOTINAMIDO)HEXANOATE SODIUM SALT
  • 6-((BIOTINOYL)AMINO)HEXANOIC ACID, SULFOSUCCINIMIDYL ESTER, SODIUM SALT
  • SULFO-N-SUCCINIMIDYL 6-(BIOTINAMIDO) HEXANOATE, SODIUM SALT

MDL Number

MFCD00078534

FAQ

What are the physical and chemical properties of Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2)?

Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2) is a crystalline compound with a molecular weight of approximately 780 g/mol. It has a high solubility in water and organic solvents. The compound exhibits moderate reactivity in acidic and basic conditions. It is stable under normal storage conditions but should be protected from moisture and light.

How is Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2) typically synthesized?

Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2) is synthesized through a multi-step process involving the condensation of a pentanoic acid derivative with a thienoimidazole derivative, followed by sulfonation, and finally, the introduction of the 2,5-dioxo-1-(hexanoyl)oxy group. The reaction typically requires the use of organic solvents and mild heating. The overall yield is around 75%.

What industries use Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2)?

Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2) is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It also finds applications in the production of certain polymer additives and as a component in some sensor and semiconductor technologies.

What precautions should be taken when handling Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2)?

When handling Sodium 2,5-dioxo-1-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonate (CAS: 191671-46-2), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbent materials, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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