Dimesna - ≥98% , CAS No.16208-51-8

CAS: 16208-51-8 Cat. No.: D275705 분자식: C₄H₈Na₂O₆S₄ 분자량: 326.34 EC 번호: 240-337-2

GRADE & PURITY ≥98%

Synonyms

BNP-7787 | 230R951Y4D | Dimesna [INN] | BCP21002 | C73103 | Dinatrium 3,4-dithiahexan-1,6-disulfonat | DIMESNA [MI] | Ethanesulfonic acid, 2,2'-dithiobis-, sodium salt (1:2) | BioNumerik | UNII-230R951Y4D | HMS3884K05 | NSC-760345 | beta,beta'-Sulfoethyld

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

동의어

BNP-7787 | 230R951Y4D | Dimesna [INN] | BCP21002 | C73103 | Dinatrium 3,4-dithiahexan-1,6-disulfonat | DIMESNA [MI] | Ethanesulfonic acid, 2,2'-dithiobis-, sodium salt (1:2) | BioNumerik | UNII-230R951Y4D | HMS3884K05 | NSC-760345 | beta,beta'-Sulfoethyld

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Kidney selective (K M values are 636, 390 and 590 μM for OAT1, OAT3, and OAT4 resepectively) prodrug to Mesna. Shows uroprotective effects against nephrotoxic agents in vivo . Orally active.

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528771157
• 정식 스마일: C(CS(=O)(=O)[O-])SSCCS(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;2-(2-sulfonatoethyldisulfanyl)ethanesulfonate
• InChIKey: KQYGMURBTJPBPQ-UHFFFAOYSA-L
• INCHI: 1S/C4H10O6S4.2Na/c5-13(6,7)3-1-11-12-2-4-14(8,9)10;;/h1-4H2,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2
• 이성체 SMILES: C(CS(=O)(=O)[O-])SSCCS(=O)(=O)[O-].[Na+].[Na+]
• 분자량: 326.34
• Reaxy-Rn: 6494921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6494921&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Dialkyldisulfides Sulfenyl compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Dialkyldisulfide - Organic disulfide - Organic alkali metal salt - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(비인간)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: insoluble in EtOH; ≥16.35 mg/mL in DMSO; ≥58.6 mg/mL in H2O
• 감도: Moisture sensitive
• 분자량: 326.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 325.9 Da
• Monoisotopic Mass: 325.9 Da
• Topological Polar Surface Area: 182.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 268.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3