Raptinal - ≥96%(HPLC) , CAS No.1176-09-6

CAS: 1176-09-6 Cat. No.: R404974 分子式: C₂₈H₁₈O₂ 分子量: 386.45 EC番号: 996-002-2 PubChem CID: 355994

グレード＆純度 ≥96%(HPLC)

Synonyms

[9,9'-Bi-9H-fluorene]-9,9'-dicarboxaldehyde

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Raptinal, a agent that directly activates caspase-3, initiates intrinsic pathway caspase-dependent apoptosis. Raptinal is able to rapidly induce cancer cell death by directly activating the effector caspase-3, bypassing the activation of initiator caspase-8 and caspase-9.

Application：

Raptinal showed complete cytochrome c release within 30 minutes and caspase-3 activation within one hour of exposure (10 μM). Despite its general cytotoxicity in both cancer and non-cancer cell cultures (Cell death induction EC50 = 0.6-3.4 μM in 24 hr), no hematologic toxicity was observed 7 days following single 60 mg/kg i.v. dosing in mice. Studies show that daily i.p. injection (20 mg/kg) is efficacious in suppressing murine B16-F10 melanoma and 4T1 breast cancer expansion in vivo (by ~60% and 50% in 6 days, respectively).

仕様

同義語

[9,9'-Bi-9H-fluorene]-9,9'-dicarboxaldehyde

仕様と純度

≥96%(HPLC)

生化学的・生理学的メカニズム

Raptinal is a cell-permeable bifluorene-dicarbaldehyde compound that acts as a rapid activator of mitochondrial pathway-mediated intrinsic apoptosis.

保管条件

Store at -20°C,Argon charged

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。

純度

≥96%(HPLC)

名前と識別子

パブケム・シド

528766931

カノニカル・スマイル

C1=CC=C2C(=C1)C3=CC=CC=C3C2(C=O)C4(C5=CC=CC=C5C6=CC=CC=C64)C=O

IUPAC Name

9-(9-formylfluoren-9-yl)fluorene-9-carbaldehyde

InChIKey

GLANOOJJBKXTMI-UHFFFAOYSA-N

INCHI

1S/C28H18O2/c29-17-27(23-13-5-1-9-19(23)20-10-2-6-14-24(20)27)28(18-30)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-18H

異性体SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C2(C=O)C4(C5=CC=CC=C5C6=CC=CC=C64)C=O

PubChem CID

355994

分子量

386.45

Reaxy-Rn

2303836

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

化学的性質と物理的性質

• 溶解度: DMSO: 18.0 mg/mL (46.6 mM), Sonification and heating to 60℃ are recommended.
• 感度: Air Sensitive,Heat Sensitive
• 融点（°C）: 219 °C
• 分子量: 386.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 386.131 Da
• Monoisotopic Mass: 386.131 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 580.000
• 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