| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 13 | No |
Popular Name: 3-bromo-7-nitro-1H-indazole 3-bromo-7-nitro-1H-indazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 74209-34-0 , 945761-95-5 , [74209-34-0]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.47 | 4.41 | -8.35 | 1 | 5 | 0 | 75 | 242.032 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 4.28 | -39.17 | 0 | 5 | -1 | 73 | 241.024 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 182 | KeyOrganics |
| MP | 182° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Purity | >98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0674627A1; US5849782; US6133306; WO1994014780A1; WO1996021445A1; WO2000035431A2; WO2000051623A2; WO2000061126A2 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-1-E | Nitric-oxide Synthase, Brain (cluster #1 Of 7), Eukaryotic | Eukaryotes | 1800 | 0.62 | Binding ≤ 10μM |
| NOS2-4-E | Nitric Oxide Synthase, Inducible (cluster #4 Of 9), Eukaryotic | Eukaryotes | 290 | 0.70 | Binding ≤ 10μM |
| NOS3-2-E | Nitric Oxide Synthase, Endothelial (cluster #2 Of 7), Eukaryotic | Eukaryotes | 2000 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 290 | 0.70 | Binding ≤ 1μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 170 | 0.73 | Binding ≤ 1μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 290 | 0.70 | Binding ≤ 10μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 2200 | 0.61 | Binding ≤ 10μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 1800 | 0.62 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 170 | 0.73 | Binding ≤ 10μM |
| NOS3_BOVIN | P29473 | Nitric-oxide Synthase, Endothelial, Bovin | 2000 | 0.61 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
