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.
| Pubchem Sid | 504773377 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773377 |
| Sonrisas canónicas | 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- |
| Isómeros SMILES | C1=CC=C2C(=C1)C(=O)NC(=N2)/C(=C(/C3=C(C=C(C=C3)Cl)Cl)\O)/C#N |
| WGK Alemania | 3 |
| PubChem CID | 135535957 |
| Peso molecular | 358.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | 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 |
| Descripción | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H2206153 | Certificate of Analysis | Feb 04, 2026 | C133786 |
| H2206154 | Certificate of Analysis | Feb 04, 2026 | C133786 |
| H2206155 | Certificate of Analysis | Feb 04, 2026 | C133786 |
| H2206156 | Certificate of Analysis | Feb 04, 2026 | C133786 |
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 35.82, Max Conc. mM: 100 |
|---|---|
| Peso molecular | 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 |
| 1. Rui Li, Jiangbo Qu, Xinyuan Hu, Tianjia Song, JunXia Hu, Yuanqing Zhang. (2025) Unveiling the role of Hedgehog signaling pathway in mitigating methylisothiazolinone-induced anxiety in zebrafish. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:41344074] [10.1016/j.ecoenv.2025.119507] |
