Col003 - ≥99% , CAS No.328565-16-8

CAS: 328565-16-8 Cat. No.: C648804 Fórmula: C₁₄H₁₁NO₄ Peso molecular: 257.24 PubChem CID: 871077

GRADE & PURITY ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Col003 is a selective and potent inhibitor of Hsp47 and competitively binds to the collagen binding site on Hsp47 ( IC 50 =1.8 μM). Col003 discourages the interaction of Hsp47 with collagen and inhibits collagen secretion by destabilizing the collagen triple helix. Col003 can be used for the investigation of fibrosis

In Vitro

Col003 (4.4-40 μM) is cleaved from Col001 (AK-778). Col003 has an inhibitory effect on the interaction of Hsp47 with collagen in Hsp47 KO ?/? MEFs. ?\nCol003 (0.01-100 μM) exhibits dose-dependent effects on the interactions of Hsp47 with collagen. The IC 50 ?value is 1.8 μM for Hsp47. ?\nCol003 (100 μM; 20-60 mins) has an nhibitory effects on collagen secretion and accumulation. It inhibits collagen secretion by wild-type MEFs and the secretion is not abolished completely. ?\nCol003 (100 μM) degrades α,α′-dipyridyl collagen secretion completely by incubation with trypsin at a high temperature (50 °C for 15 min), but it resistant to trypsin digestion at 37 °C. ?. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: Wild-type MEFs Concentration: 100 μM Incubation Time: After 50 °C or 37 °C for 15 min Result: Affected correctly folded triple helix structures and α,α′-dipyridyl on collagen secretion.

Form:Solid

IC50& Target:HSP47 1.8 μM (IC 50 )

Specifications

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Col003 is a selective and potent inhibitor of Hsp47 and competitively binds to the collagen binding site on Hsp47 ( IC 50 =1.8 μM). Col003 discourages the interaction of Hsp47 with collagenxa0and inhibits collagen secretion by destabilizing the collagen t

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C(C=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)C=O
• IUPAC Name: 5-benzyl-2-hydroxy-3-nitrobenzaldehyde
• InChIKey: RKJXVCLOGNLZOI-UHFFFAOYSA-N
• INCHI: 1S/C14H11NO4/c16-9-12-7-11(6-10-4-2-1-3-5-10)8-13(14(12)17)15(18)19/h1-5,7-9,17H,6H2
• SMILES isoméricas: C1=CC=C(C=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)C=O
• PubChem CID: 871077
• Peso molecular: 257.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Nitrobenzaldehydes Nitrophenols Hydroxybenzaldehydes Nitroaromatic compounds Benzoyl derivatives Vinylogous acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Nitrobenzaldehyde - Nitrophenol - Nitrobenzene - Hydroxybenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - Phenol - Aryl-aldehyde - Vinylogous acid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 50 mg/mL (194.37 mM; Need ultrasonic)
• Peso molecular: 257.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.069 Da
• Monoisotopic Mass: 257.069 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 322.000
• 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