sorbinil - Moligand™,≥98% , Aldose reductase inhibitor, CAS No.68367-52-2, Aldose reductase inhibitor

CAS: 68367-52-2 Cat. No.: S613657 분자식: C₁₁H₉FN₂O₃ 분자량: 236.20 EC 번호: 684-722-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

Q1259458 | SORBINIL [WHO-DD] | CCG-221489 | Sorbinilo | Sorbinilo [Spanish] | (4S)-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione | HMS3260F11 | NSC 355082 | Sorbinil [USAN:INN:BAN] | Sorbinilum [Latin] | Sorbinil | (S)-6-Fluorospiro(ch

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

Q1259458 | SORBINIL [WHO-DD] | CCG-221489 | Sorbinilo | Sorbinilo [Spanish] | (4S)-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione | HMS3260F11 | NSC 355082 | Sorbinil [USAN:INN:BAN] | Sorbinilum [Latin] | Sorbinil | (S)-6-Fluorospiro(ch

사양 및 순도

Moligand™,≥98%

생화학 및 생리적 메커니즘

Sorbinil is an aldose reductase inhibitor (ARI) that prevents the accumulation of sorbitol in cells or animals. Sorbinil is useful in studying diabetes and diabetic complications, reducing AR activity and inhibiting the polyol pathway.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Aldose reductase inhibitor

순수함

≥98%

이름과 식별자

• 정식 스마일: C1COC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)F
• IUPAC Name: (4S)-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
• InChIKey: LXANPKRCLVQAOG-NSHDSACASA-N
• INCHI: 1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
• 이성체 SMILES: C1COC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F
• WGK 독일: 3
• 분자량: 236.20
• Reaxy-Rn: 1083383
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1083383&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: 1-benzopyrans Alpha amino acids and derivatives 5-monosubstituted hydantoins Alkyl aryl ethers N-acyl ureas Aryl fluorides Benzenoids Dicarboximides Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - Chromane - 1-benzopyran - Benzopyran - 5-monosubstituted hydantoin - Alkyl aryl ether - N-acyl urea - Ureide - Aryl fluoride - Aryl halide - Benzenoid - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• External Descriptors: organofluorine compound - imidazolidinone - azaspiro compound - chromanes - oxaspiro compound

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(인간)

AKR1B1 Tclin Aldose reductase (18 Activities)

Discover Target: AKR1B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

AKR1A1 Tchem Aldehyde reductase (91 Activities)

Discover Target: AKR1A1

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

SORD Tchem Sorbitol dehydrogenase (133 Activities)

Discover Target: SORD

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

GSR Tclin Glutathione reductase (335 Activities)

Discover Target: GSR

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

AKR1B10 Tchem Aldo-keto reductase family 1 member B10 (300 Activities)

Discover Target: AKR1B10

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

NFKB2 Tchem Nuclear factor NF-kappa-B complex (2307 Activities)

Discover Target: NFKB2

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

관련 대상(비인간)

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

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

Akr1c21 Aldo-keto reductase family 1 member C21 (12 Activities)

Discover Target: Akr1c21

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 236.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 236.06 Da
• Monoisotopic Mass: 236.06 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 376.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 68367-52-2, the molecular formula is C11H9FN2O3, and the molecular weight is 236.20 g/mol. InChIKey LXANPKRCLVQAOG-NSHDSACASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.