Basic information
- CAS
204326-43-2- Standard SMILES
O=c1onc2n1-c1cc(Br)ccc1OC2- InChIKey
MUDRLQRJCGJJTB-UHFFFAOYSA-N- Molecular formula
- C9H5BrN2O3
- Average molar mass
- 269.05 g/mol
- Monoisotopic mass
- 267.94835
Overview
structure in first source
Names & identifiers
- Preferred name
- NS-2028
- IUPAC
- 8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one
- English name
- NS-2028
- Molecular formula
- C9H5BrN2O3
- Molecular weight
- 269.05
Names & synonyms
ns 2028NS-2028NS2028KU8K3G4867RefChem:927960204326-43-28-bromo-4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one4H-8-Bromo-1,2,4-oxadiazolo(3,4-d)benz(b)(1,4)oxazin-1-one8-Bromo-1H,4H-benzo[b][1,2,4]oxadiazolo[4,3-d][1,4]oxazin-1-one4H-8-Bromo-1,2,4-oxadiazolo[3,4-d]benz[b][1,4]oxazin-1-one8-Bromo-1H,4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one1H,4H-[1,2,4]Oxadiazolo[3,4-c][1,4]benzoxazin-1-one, 8-bromo-
Show more names
NS-2028, 10 mM in DMSONS 2028 - CAS 204326-43-2 - Calbiochem4-H-BROMO-1,2,4-OXADIAZOLE(3,4-ALPHA)BENZ(B)OXAZIN-1-ONENS 2028,inhibit,Inhibitor,NS-2028,NS2028,Guanylate Cyclase4H-8-BROMO-1,2,4-OXADIAZOLO(3,4-D)BENZO(B)(1,4)OXAZIN-1-ONE8-bromo-4~{H}-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one
1H,4H-(1,2,4)Oxadiazolo(3,4-C)(1,4)benzoxazin-1-one, 8-bromo-8-Bromo-1H,4H-(1,2,4)oxadiazolo(3,4-C)(1,4)benzoxazin-1-oneSR-01000075533MUDRLQRJCGJJTB-UHFFFAOYSA-NLopac-N-211NS 2028, solidLopac0_000922UNII-KU8K3G4867
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 160 · 160~170℃
- Boiling point
- 353.8 · 353.8±52.0 °C(Predicted)
- Density
- 2.06 · 2.06±0.1 g/cm3(Predicted)
- storage temp.
- 2 C · +2C to +8C
- solubility
- 13 mg/mL · DMSO: 13 mg/mL
- form
- solid
- pka
- -1.18 · -1.18±0.20(Predicted)
- color
- white
- InChI
- 1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2
- InChIKey
- MUDRLQRJCGJJTB-UHFFFAOYSA-N
- SMILES
- Brc1cc2c(cc1)OCc3[n]2[c]([o]n3)=O
- FDA UNII
- 8 K3G4867 · KU8K3G4867
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesNS-2028 is a specific inhibitor of soluble guanylyl cyclase. It inhibits purified bovine lung guanylyl cyclase in a concentration dependent and irreversible manner with IC50 values of 30 and 200 nM for basal and NO-stimulated enzymes, respectively. S-nitroso-glutathione-enhanced guanylyl cyclase activity in mouse cerebellum homogenates is inhibited by NS-2028 with an IC50 value of 17 nM, making it about 4.7 fold more potent than ODQ, which has an IC50 value of 80 nM for inhibition of soluble guanylyl cyclase in the same assay. NS-2028 does not inhibit particulate guanylyl cyclase or adenylyl cyclase.
UsesNS-2028 potent soluble guanylyl cyclase (sGC) inhibitor (Ki = 8 nM). NS-2028 blocks sGC activity in murine cerebellum induced by S-nitroso-glutathione and NMDA. NS-2028 inhibits VEGF-induced cGMP accumulation; abolishes VEGF-induced migration in postcapillary venular endothelial cells (CVEC).
Suppliers35 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
广州安励合生物科技有限公司13928234501 18098185186 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences
Related reactions
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Compound notes
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