CiliobrevinA - 10mM in DMSO , CAS No.302803-72-1

CAS: 302803-72-1 Cat. No.: C580346 Formule: C₁₇H₉Cl₂N₃O₂ Poids moléculaire: 358.18 Numéro CE: 687-330-4 PubChem CID: 135535957

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS030243148 | BS-16448 | J-017853 | Hedgehog Pathway Inhibitor 4 | HPI-4 | (2E)-3-(2,4-dichlorophenyl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)propanenitrile | A16349 | A924807 | CCG-268130 | SR-01000429796 | HPI-4,Hedgehog Pathway Inhibitor 4 | SCHEMBL1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

General description：

HPI-4 (Ciliobrevin A, Hedgehog Pathway Inhibitor 4) is a hedgehog (Hh) pathway antagonist. It blocks Sonic hedgehog (Shh)-induced Hh pathway activation (IC50 = 7 μM) downstream of Smo.

Specifications

Synonymes

AKOS030243148 | BS-16448 | J-017853 | Hedgehog Pathway Inhibitor 4 | HPI-4 | (2E)-3-(2,4-dichlorophenyl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)propanenitrile | A16349 | A924807 | CCG-268130 | SR-01000429796 | HPI-4,Hedgehog Pathway Inhibitor 4 | SCHEMBL1

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

Hedgehog (Hh) pathway antagonist; blocks Sonic hedgehog (Shh)-induced Hh pathway activation (IC50= 7μM) downstream of Smo. Perturbs primary cilia formation; inhibits cytoplasmic AAA+ ATPase dynein-dependent microtubule gliding and ATPase activity.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

Sourires canoniques

C1=CC=C2C(=C1)C(=O)NC(=N2)C(=C(C3=C(C=C(C=C3)Cl)Cl)O)C#N

IUPAC Name

(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile

InChIKey

UEZZGQDPOFILFH-QINSGFPZSA-N

INCHI

1S/C17H9Cl2N3O2/c18-9-5-6-10(13(19)7-9)15(23)12(8-20)16-21-14-4-2-1-3-11(14)17(24)22-16/h1-7,23H,(H,21,22,24)/b15-12-

Isomères SMILES

C1=CC=C2C(=C1)C(=O)NC(=N2)/C(=C(/C3=C(C=C(C=C3)Cl)Cl)\O)/C#N

WGK Allemagne

3

PubChem CID

135535957

Poids moléculaire

358.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidones Chlorobenzenes Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidone - Halobenzene - Chlorobenzene - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 35.82, Max Conc. mM: 100
• Poids moléculaire: 358.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 357.007 Da
• Monoisotopic Mass: 357.007 Da
• Topological Polar Surface Area: 85.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 637.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1