Roslin 2 bromide - ≥99% , CAS No.29574-21-8

CAS: 29574-21-8 Cat. No.: R649032 분자식: C₁₃H₁₉BrN₄ 분자량: 311.22 EC 번호: 806-214-8 PubChem CID: 10519060

GRADE & PURITY ≥99%

Synonyms

1-(Phenylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane bromide, 1-Benzyl-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~] decane bromide, 1-Benzyl-3,5,7-triaza-1-azoniaadamantane bromide | 1-benzyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;bromide

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

Roslin 2 bromide (Benzylhexamethylenetetramine bromide) is a p53 reactivator with anticancer effects. Roslin 2 bromide binds FAK , disrupts the binding of FAK and p53.

In Vitro

Roslin 2 bromide decreases cancer cell viability and clonogenicity in a p53-dependent manner. Roslin 2 bromide increases p53 transcriptional activity that is inhibited by FAK using p21, Mdm-2, and Bax-promoter targets. Roslin 2 bromide also causes increased expression of p53 targets: p21, Mdm-2 and Bax proteins. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Roslin 2 (60 mg/kg; i.p; 5 days/week) bromide significantly decreases tumor growth, disrupts the complex of FAK and p53, and up-regulates p21 in HCT116 p53 +/+ but not in HCT116 p53 -/- xenografts in vivo . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

동의어

1-(Phenylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane bromide, 1-Benzyl-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~] decane bromide, 1-Benzyl-3,5,7-triaza-1-azoniaadamantane bromide | 1-benzyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;bromide

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Roslin 2 bromide (Benzylhexamethylenetetramine bromide) is a p53 reactivator with anticancer effects. Roslin 2 bromide binds FAK , disrupts the binding of FAK and p53.

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

정식 스마일

C1N2CN3CN1C[N+](C2)(C3)CC4=CC=CC=C4.[Br-]

IUPAC Name

1-benzyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;bromide

InChIKey

YJMKPGPWDHCYCD-UHFFFAOYSA-M

INCHI

1S/C13H19N4.BrH/c1-2-4-13(5-3-1)6-17-10-14-7-15(11-17)9-16(8-14)12-17;/h1-5H,6-12H2;1H/q+1;/p-1

이성체 SMILES

C1N2CN3CN1C[N+](C2)(C3)CC4=CC=CC=C4.[Br-]

WGK 독일

3

PubChem CID

10519060

분자량

311.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylamines
• Alternative Parents: 1,3,5-triazinanes Tetraalkylammonium salts Azacyclic compounds Aminals Organic zwitterions Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzylamine - 1,3,5-triazinane - Triazinane - Tetraalkylammonium salt - Quaternary ammonium salt - Aminal - Azacycle - Organoheterocyclic compound - Organic bromide salt - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzylamines. These are organic compounds containing benzylamine, which consists of a benzene group attached to an amine group.
• 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

화학 및 물리적 특성

• 분자량: 311.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 310.079 Da
• Monoisotopic Mass: 310.079 Da
• Topological Polar Surface Area: 9.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 257.000
• 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: 2

XLogP3

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 29574-21-8, the molecular formula is C13H19BrN4, and the molecular weight is 311.22 g/mol. InChIKey YJMKPGPWDHCYCD-UHFFFAOYSA-M.

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.