Basic information
- CAS
112749-52-7- Standard SMILES
O=c1c(Cl)c(Cl)cnn1Cc1ccccc1Cl- InChIKey
OCSOJUHXYHYEKJ-UHFFFAOYSA-N- Molecular formula
- C11H7Cl3N2O
- Average molar mass
- 289.5 g/mol
Names & identifiers
- Preferred name
- 4,5-Dichloro-2-((2-chlorophenyl)methyl)-2,3-dihydropyridazin-3-one
- IUPAC
- 4,5-dichloro-2-[(2-chlorophenyl)methyl]pyridazin-3-one
- English name
- 4,5-dichloro-2-[(2-chlorophenyl)methyl]pyridazin-3-one
- Molecular formula
- C11H7Cl3N2O
- Molecular weight
- 289.55
Names & synonyms
112749-52-74,5-dichloro-2-[(2-chlorophenyl)methyl]-2,3-dihydropyridazin-3-one4,5-Dichloro-2-((2-chlorophenyl)methyl)-2,3-dihydropyridazin-3-oneRefChem:507652827-651-0EcDsbB-IN-124,5-dichloro-2-(2-chlorobenzyl)pyridazin-3(2H)-one4,5-dichloro-2-[(2-chlorophenyl)methyl]pyridazin-3-oneEcDsbB-IN-10C11H7Cl3N2OMLS000680249SMR000268404
Show more names
EcDsbBIN12,EcDsbB IN 12EcDsbB-IN-12, 10 mM in DMSO3(2H)-Pyridazinone, 4,5-dichloro-2-[(2-chlorophenyl)methyl]-
4,5-dichloro-2-(2-chlorobenzyl)-3(2H)-pyridazinoneCBMicro_001673Cambridge id 61428444,5-dichloro-2-(2-chlorobenzyl)pyridazin-3-onecid_720233orb1298807CHEMBL1570760SCHEMBL10642561
Database identifiers
- CAS
112749-52-7- PubChem CID
- 720233
- ChEMBL
CHEMBL1570760- EC Number
- 827-651-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H332-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H319-H332-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
DescriptionEcDsbB-IN-12 is a novel potent specific inhibitor of EcDsbB, targeting disulfide bond forming enzyme.
Uses4,5-dichloro-2-[(2-chlorophenyl)methyl]-2,3-dihydropyridazin-3-one (cas# 112749-52-7) is a chemical compound that was found to be an in inhibitor of virulence-promoting enzyme such as DsbB, which is a cytoplasmic membrane protein able to generate disulfide bond in proteins (to make them more stable). Another study showed that this compound possesses both: antimicrobial and antibacterial activities, which suggests that it can be used for therapeutic purposes.
Suppliers8 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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