Sucralose - 10mM in DMSO , CAS No.56038-13-2

CAS: 56038-13-2 Cat. No.: S424752 分子式: C₁₂H₁₉Cl₃O₈ 分子量: 397.63 Beilstein Registry Number: 3654410 EC番号: 259-952-2 PubChem CID: 71485

グレード＆純度 10mM in DMSO

Synonyms

Sucralose|56038-13-2|Trichlorosucrose|Splenda|Aspasvit|EINECS 259-952-2|1',4,6'-Trichlorogalactosucrose|UNII-96K6UQ3ZD4|96K6UQ3ZD4|Sucrazit|Trichlorogalactosucrose|CHEBI:32159|BRN 3654410|Sansweet su 100|CCRIS 8449|1,6-Dichloro-1,6-dideoxy-beta-D-fructofu

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Sucralose is a non-caloric sugar used as a sweetener that activates T1R2/T1R3 sweet taste receptors and modulates Glukagon-like peptide-1, glucose-dependent insulinotrophic peptide, and incretin secretion.

仕様

同義語

Sucralose | 56038-13-2 | Trichlorosucrose | Splenda | Aspasvit | EINECS 259-952-2 | 1',4,6'-Trichlorogalactosucrose | UNII-96K6UQ3ZD4 | 96K6UQ3ZD4 | Sucrazit | Trichlorogalactosucrose | CHEBI:32159 | BRN 3654410 | Sansweet su 100 | CCRIS 8449 | 1,6-Dichloro-1,6-dideoxy-beta-D-fructofu

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

A synthetic sweet tastant detectable by humans. Activates T1R2/T1R3 sweet taste receptors on enteroendocrine cells and elicits increased hormonal secretion of Glukagon-like peptide-1 and glucose-dependent insulinotrophic peptide.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528769105

カノニカル・スマイル

C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O

IUPAC Name

(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol

InChIKey

BAQAVOSOZGMPRM-QBMZZYIRSA-N

INCHI

1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1

異性体SMILES

C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O

WGKドイツ

3

RTECS

LW5440140

PubChem CID

71485

分子量

397.63

Beilstein

3654410

Reaxy-Rn

3654410

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 C-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: C-glycosyl compounds
• Alternative Parents: Ketals Oxanes Monosaccharides Tetrahydrofurans Secondary alcohols Chlorohydrins Oxacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: C-glycosyl compound - Ketal - Oxane - Monosaccharide - Tetrahydrofuran - Secondary alcohol - Chlorohydrin - Halohydrin - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Primary alcohol - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
• External Descriptors: organochlorine compound - disaccharide derivative

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

関連ターゲット（人間）

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

Discover Target: CA2

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

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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

Homo sapiens (32628 Activities)

Explore this target

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

TAS2R31 Tchem Taste receptor type 2 member 31 (86 Activities)

Discover Target: TAS2R31

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

TAS2R10 Tchem Taste receptor type 2 member 10 (51 Activities)

Discover Target: TAS2R10

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

HEK-293T (167025 Activities)

Explore this target

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

TAS2R46 Tchem Taste receptor type 2 member 46 (155 Activities)

Discover Target: TAS2R46

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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 比旋光度［α］: 86.0° (C=1,H2O)
• 融点（°C）: 130°C
• 分子量: 397.600 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 396.015 Da
• Monoisotopic Mass: 396.015 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 405.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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