CU-CPT17e - Moligand™,≥98% , CAS No.2109805-75-4

CAS: 2109805-75-4 Cat. No.: C651129 分子式: C₂₇H₂₄N₂O₈ 分子量: 504.49 PubChem CID: 132585194

グレード＆純度 Moligand™, ≥98%

Synonyms

6,7-bis[(4-nitrophenyl)methoxy]spiro[chromene-2,4'-oxane] | CU-CPT17e | CU-CPT-17e | HY-101929 | BCP29395 | Spiro[2H-1-benzopyran-2,4'-[4H]pyran], 2',3',5',6'-tetrahydro-6,7-bis[(4-nitrophenyl)methoxy]- | MS-29365 | 2109805-75-4 | DTXSID801118086 | AKOS04

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

CU-CPT17e is a potent multi-Toll-like receptor (TLR) agonist that activates TLR3, TLR8, and TLR9

仕様

同義語

6,7-bis[(4-nitrophenyl)methoxy]spiro[chromene-2,4'-oxane] | CU-CPT17e | CU-CPT-17e | HY-101929 | BCP29395 | Spiro[2H-1-benzopyran-2,4'-[4H]pyran], 2',3',5',6'-tetrahydro-6,7-bis[(4-nitrophenyl)methoxy]- | MS-29365 | 2109805-75-4 | DTXSID801118086 | AKOS04

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

CU-CPT17e is a potent multi- Toll-like receptor ( TLR ) agonist that activates TLR3 , TLR8 , and TLR9 .

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

等級

Moligand™

アクションタイプ

AGONIST

純度

≥98%

名前と識別子

カノニカル・スマイル

C1COCCC12C=CC3=CC(=C(C=C3O2)OCC4=CC=C(C=C4)[N+](=O)[O-])OCC5=CC=C(C=C5)[N+](=O)[O-]

IUPAC Name

6,7-bis[(4-nitrophenyl)methoxy]spiro[chromene-2,4'-oxane]

InChIKey

LHTNFHWDTHQECR-UHFFFAOYSA-N

INCHI

1S/C27H24N2O8/c30-28(31)22-5-1-19(2-6-22)17-35-25-15-21-9-10-27(11-13-34-14-12-27)37-24(21)16-26(25)36-18-20-3-7-23(8-4-20)29(32)33/h1-10,15-16H,11-14,17-18H2

異性体SMILES

C1COCCC12C=CC3=CC(=C(C=C3O2)OCC4=CC=C(C=C4)[N+](=O)[O-])OCC5=CC=C(C=C5)[N+](=O)[O-]

代替CAS番号

2109805-75-4

PubChem CID

132585194

分子量

504.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Alkyl aryl ethers Oxanes Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Oxane - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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

関連ターゲット（人間）

HMEC (560 Activities)

Explore this target

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

HeLa (62764 Activities)

Explore this target

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

TLR4 Tchem Toll-like receptor 4 (970 Activities)

Discover Target: TLR4

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

TLR2 Tchem Toll-like receptor 2 (975 Activities)

Discover Target: TLR2

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

TLR8 Tchem Toll-like receptor 8 (1853 Activities)

Discover Target: TLR8

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

TLR3 Tbio Toll-like receptor 3 (331 Activities)

Discover Target: TLR3

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

TLR5 Tchem Toll-like receptor 5 (190 Activities)

Discover Target: TLR5

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）

Tlr7 Toll-like receptor 7 (174 Activities)

Discover Target: Tlr7

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

Tlr9 Toll-like receptor 9 (360 Activities)

Discover Target: Tlr9

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

• 溶解度: DMSO : 5 mg/mL (9.91 mM; Need ultrasonic and warming)
• 分子量: 504.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 504.153 Da
• Monoisotopic Mass: 504.153 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 804.000
• 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: 1

よくある質問

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 2109805-75-4, the molecular formula is C27H24N2O8, and the molecular weight is 504.49 g/mol. InChIKey LHTNFHWDTHQECR-UHFFFAOYSA-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.