| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 9 | Yes |
Popular Name: Nicotinamide Nicotinamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10119-18-3 , 34233-69-7 , 3726-23-6 , 4138-26-5 , 98-92-0 , [3726-23-6] , [98-92-0]
3-Pyridinecarboxamide,hydriodide (1:1)
3-Pyridinecarboxylic acid amide
6-aminonicotinamide; 98-92-0; niacinamide; nicotinamide; vitamin PP
98-92-0; C00153; Niacinamide; Nicotinamide; Nicotinic acid amide; Vitamin PP
98-92-0; D00036; Niacinamide (USP); Nicotinamide (JP16/INN)
A186B02E-6C70-4E54-9739-79398D439AAA
Amid kyseliny nikotinove [Czech]
CHEBI:44258; CHEBI:7556; CHEBI:14645; CHEBI:25521
CPD000058212; NICOTINAMIDE; 98-92-0
CPD000058212; NICOTINAMIDE; SAM001246860
CPD000058212; SAM001246860; nicotinamide
InChI=1/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9
Jenapharm Brand of Niacinamide
Niacinamide, Nicotinic acid amide
Niacinamide, Nicotinic acid amide, Nicotinamide
Nicotinamide [98-92-0]; (Vitamin PP)
Nicotinamide, niacin, vitamin B3
Pharmagenix Brand of Niacinamide
| 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) | -0.48 | -0.49 | -8.63 | 2 | 3 | 0 | 56 | 122.127 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 128 - 130 | Enamine Building Blocks |
| Mp [°C] | 128 - 131 | Acros Organics |
| M.P | 128-131 °C | Indofine |
| Melting_Point | 128-132? | Alfa-Aesar |
| Melting_Point | 128-132° | Alfa-Aesar |
| MP | 128...130 | Enamine Building Blocks |
| MP | 129 | TCI |
| BP [°C] | 150 - 160 | Acros Organics |
| ALOGPS_SOLUBILITY | 5.01e+01 g/l | DrugBank-experimental |
| UniProt Database Links | 5NTD_HAEIN; CD38_HUMAN; CD38_MACFA; CD38_MOUSE; CD38_RABIT; CD38_RAT; CHELT_VIBCL; CHXA_VIBCL; CINAL_ECOLI; DNLJ_BORRA; DNLJ_BORT9; DNLJ_BRADU; DNLJ_BRAHW; DNLJ_BRASB; DNLJ_BRASO; DNLJ_BREBN; DNLJ_BRUA1; DNLJ_BRUA2; DNLJ_BRUAB; DNLJ_BRUC2; DNLJ_BRUMB; DNL | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP1266660; EP1422218; EP1488789; EP1498478; EP1559430; EP1609462; EP1623986; EP1683526; EP1693067; EP1719508; EP1719543; EP1772066; EP1792616; EP1818058; EP1864657; EP1935422; EP1949906; GB2347422; US2002165218; US2003201160; US2005020587; US2005054097; U | ChEBI |
| Notes | fw 122.1 | Apollo Scientific Bioactives |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : 240206 | NIH Clinical Collection via PubChem |
| Target | NULL | Selleck Chemicals |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36: Irritating to eyes. | Acros Organics |
| Reactome Database Links | REACT_11136; REACT_11225; REACT_120778 | ChEBI |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: 240206 | NIH Clinical Collection via PubChem |
| Target | Sirtuin | Selleck Chemicals |
| Therapy | Vitamin B3; enzyme cofactor; anti-pellagra | SMDC Iconix |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAAH1-7-E | Anandamide Amidohydrolase (cluster #7 Of 7), Eukaryotic | Eukaryotes | 3300 | 0.85 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAAH1_RAT | P97612 | Anandamide Amidohydrolase, Rat | 3300 | 0.85 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| degradation of AXIN | |
| Downregulation of SMAD2/3:SMAD4 transcriptional activity | |
| Nicotinamide salvaging | |
| Regulation of HSF1-mediated heat shock response | |
| SIRT1 negatively regulates rRNA Expression |
No pre-computed analogs available. Try a structural similarity search.