Basic information
- CAS
41443-28-1- Standard SMILES
O=c1onc2cnc3ccccc3n12- InChIKey
LZMHWZHOZLVYDL-UHFFFAOYSA-N- Molecular formula
- C9H5N3O2
- Average molar mass
- 187.15 g/mol
- Monoisotopic mass
- 187.03817641
Overview
1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one is a member of the class of oxadiazoloquinoxalines that is 1H-[1,2,4]oxadiazolo[4,3-a]quinoxaline substituted at position 1 by an oxo group. It has a role as an EC 4.6.1.2 (guanylate cyclase) inhibitor.
Names & identifiers
- Preferred name
- 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one
- IUPAC
- [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
- English name
- ODQ
- Molecular formula
- C9H5N3O2
- Molecular weight
- 187.15
Names & synonyms
41443-28-11h-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one1H-ODQS57V2NMV381H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-oneDTXSID2036796CHEBI:91215ODQ-1HRefChem:437818DTXCID0016796637-000-0ODQ
Show more names
ODQ,98%41443-28- 1ODQ inhibitorODQ, 10 mM in DMSOODQ - CAS 41443-28-1 - Calbiochem1H-[1,2,4]OXADIAZOLE[4,3-A]QUINOXALIN-1-ONEODQ, NO-sensitive guanylyl cyclase inhibitor
[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one1H-(1,2,4)Oxadiazolo-(4,3,A)quinoxalin-1-oneMFCD007926201H-[124]Oxadiazolo[43-a]quinoxalin-1-one1H-[1,2,4]OXADIAZOLO[4,3-a]-QUINOXALIN-1-ONESR-01000075519Lopac-O-3636Tocris-0880
Database identifiers
- CAS
41443-28-1- PubChem CID
- 1456
- DTXSID
DTXSID2036796- ChEMBL
CHEMBL598952- ChEBI
CHEBI:91215
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 160 · 160-170 °C
- Boiling point
- 321.89 °C · 321.89°C (rough estimate)
- Density
- 1.3753 · 1.3753 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- RTECS
- 913150 · RO0913150
- storage temp.
- 2 · 2-8°C
- solubility
- 1.2 mg/mL · ethanol: 1.2 mg/mL
- form
- powder
- pka
- 0.94 · 0.94±0.20(Predicted)
- color
- pale yellow
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
- InChI
- 1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H
- InChIKey
- LZMHWZHOZLVYDL-UHFFFAOYSA-N
- SMILES
- [n]21c(n[o][c]2=O)cnc3c1cccc3
- CAS DataBase Reference
- 41443 · 41443-28-1(CAS DataBase Reference)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
DescriptionODQ (41443-28-1) is a potent and selective inhibitor of soluble guanylyl cyclase (sGC),IC50= 20 nM).1 ODQ acts via competition with NO for the heme site of sGC where it binds irreversibly.2ODQ does not inhibit NO-mediated macrophage toxicity, an activity that is unrelated to cGMP nor does it inhibit particulate GC.1ODQ is an extremely useful tool to explore the involvement of the NO-cGMP pathway in cellular signaling and physiologic processes.3-5
UsesODQ is a selective and potent sGC (soluble guanylyl cyclase) inhibitor.
Uses1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one inhibits neurite outgrowth and causes neurite retraction in PC12 cells independently of soluble guanylyl cyclase.
Suppliers88 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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