| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 8 | Yes |
Popular Name: Histamine dihydrochloride Histamine dihydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23297-93-0 , 51-45-6 , 51-45-6 [histamine] , 51-74-1 , 56-92-8 , 65592-96-3 , 73239-81-3 , N/A , [51-74-1] , [56-92-8] , [65592-96-3]
1H-Imidazole-4-ethanamine dihydrochloride
1H-Imidazole-4-ethanamine; 2-(4-Imidazolyl)ethylamine; 51-45-6; C00388; Histamine
2-(1H-imidazol-4-yl)ethan-1-amine dihydrochloride
2-(1H-imidazol-4-yl)ethanamine
2-(1H-Imidazol-4-yl)ethanamine bis(phosphate)
2-(1H-Imidazol-4-yl)ethanamine dihydrochloride
2-(1H-Imidazol-4-yl)ethanamine phosphate
2-(1H-Imidazol-4-yl)ethylamine dihydrochloride
2-(1H-imidazol-5-yl)ethan-1-amine
2-(1H-Imidazol-5-yl)ethanamine
2-(4-Imidazolyl)ethylamine dihydrochloride
2-(4-Imidazolyl)ethylamine diphosphate salt monohydrate
2-[4-Imidazolyl]ethylamine dihydrochloride
4-(2-Aminoethyl)-1H-imidazole dihydrochloride
51-45-6; D08040; Histamine (DCF); Histaminum (TN)
51-74-1; D04445; Histamine phosphate (TN); Histamine phosphate (USP)
CHEBI:43187; CHEBI:14401; CHEBI:817; CHEBI:24596
Histamine Dihydrochloride (USAN); Histamine Phosphate (FDA
Histamine dihydrochloride, 98+%
Histamine dihydrochloride, 99%
Histamine dihydrogen phosphate
IMIDAZOLEETHANAMINEDIHYDROCHLORID
| 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) | -0.85 | 0.85 | -42.34 | 4 | 3 | 1 | 56 | 112.156 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.85 | 1.31 | -96.9 | 5 | 3 | 2 | 58 | 113.164 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 167 (p=0.8 torr) | Acros Organics |
| Melting_Point | 245-249? | Alfa-Aesar |
| Melting_Point | 245-249° | Alfa-Aesar |
| MP | 246 | TCI |
| MP | 247 - 249 | Enamine Building Blocks |
| MP | 247...249 | Enamine Building Blocks |
| Mp [°C] | 249 - 252 | Acros Organics |
| MP | 249-252° | Oakwood Chemical |
| MP | 250 - 252 | Enamine Building Blocks |
| MP | 250...252 | Enamine Building Blocks |
| Mp [°C] | 83 - 84 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 96% | Fluorochem |
| Purity | 98% | Fluorochem |
| UniProt Database Links | AMO1_ASPNG; AMOH_ARTGO; AMP1_SCOMU; AMP2_SCOMU; ANF39_ORNAN; AOC1_HUMAN; AOC1_MOUSE; AOC1_PIG; AOC1_RAT; ARGR1_ARGRF; CCL5_BOVIN; CCL5_CANFA; CCL5_CAVPO; CCL5_FELCA; CCL5_HORSE; CCL5_HUMAN; CCL5_MACMU; CCL5_MOUSE; CCL5_PIG; CCL5_RAT; CCL5_SIGHI; CLCA1_HUM | ChEBI |
| Indications | anti-leukaemia | KeyOrganics Bioactives |
| Therapy | Endogenous neurotransmitter | SMDC Life and Maybridge (building blocks) |
| PUBCHEM_PATENT_ID | EP0209586A1; EP0209586B1; US4797370; WO1996020216A1 | IBM Patent Data |
| Patent Database Links | EP0889037; EP0936216; EP0978512; EP0982300; EP1002544; EP1020179; EP1120418; EP1123936; EP1127573; EP1142909; EP1422218; EP1505064; EP1505066; EP1512695; EP1537858; EP1541197; EP1550443; EP1550448; EP1563838; EP1563845; EP1574501; EP1577291; EP1577292; EP | ChEBI |
| therap | H1&2 agonist, edema induction, gastric secretion stimulant | MicroSource Spectrum |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H317: May cause an allergic skin reaction; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| Target | Histamine Receptor | Selleck Chemicals |
| Warnings | IRRITANT | Matrix Scientific |
| Indications | leukaemia | KeyOrganics Bioactives |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing; P342 + P311: If experiencing respiratory symptoms: Call a POISON CENTE | Acros Organics |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear 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; P310: Immediately call a POISON CENTER or doctor/physician; P26 | Acros Organics |
| Target | Proto-oncogene tyrosine-protein kinase receptor Ret(P07949)&Hepatocyte growth factor receptor(P08581)&Histidine decarboxylase(P19113)&Synaptic vesicular amine transporter(Q05940)&Potassium voltage-gated channel subfamily D member 2(Q9NZV8)&Potassium volta | Herbal Ingredients Targets |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R42/43: May cause sensitisation by inhalation and skin contact. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin.; R42/43: May cause sensitisation by inhalation and skin contact. | Acros Organics |
| Reactome Database Links | REACT_115661; REACT_15291; REACT_15538; REACT_16945; REACT_17005; REACT_17008; REACT_17028; REACT_20519; REACT_22221; REACT_22234; REACT_22239; REACT_22263; REACT_22268; REACT_22283; REACT_22289; REACT_22327; REACT_22348; REACT_22436 | 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.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label wher | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 190 | 1.18 | Binding ≤ 10μM |
| HRH2-2-E | Histamine H2 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1200 | 1.04 | Binding ≤ 10μM |
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 77 | 1.24 | Binding ≤ 10μM |
| HRH4-2-E | Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 75 | 1.25 | Binding ≤ 10μM |
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 45 | 1.29 | Functional ≤ 10μM |
| HRH2-1-E | Histamine H2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 650 | 1.08 | Functional ≤ 10μM |
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 88 | 1.23 | Functional ≤ 10μM |
| HRH4-2-E | Histamine H4 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1800 | 1.01 | Functional ≤ 10μM |
| Z50512-3-O | Cavia Porcellus (cluster #3 Of 7), Other | Other | 980 | 1.05 | Functional ≤ 10μM |
| Z50597-3-O | Rattus Norvegicus (cluster #3 Of 12), Other | Other | 62 | 1.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 13 | 1.38 | Binding ≤ 1μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 463 | 1.11 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 10 | 1.40 | Binding ≤ 1μM |
| HRH3_MOUSE | P58406 | Histamine H3 Receptor, Mouse | 68 | 1.25 | Binding ≤ 1μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 11.6 | 1.39 | Binding ≤ 1μM |
| HRH4_MOUSE | Q91ZY2 | Histamine H4 Receptor, Mouse | 79.4328235 | 1.24 | Binding ≤ 1μM |
| HRH4_RAT | Q91ZY1 | Histamine H4 Receptor, Rat | 63.0957344 | 1.26 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 13 | 1.38 | Binding ≤ 10μM |
| HRH2_CAVPO | P47747 | Histamine H2 Receptor, Guinea Pig | 1200 | 1.04 | Binding ≤ 10μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 1200 | 1.04 | Binding ≤ 10μM |
| HRH3_MOUSE | P58406 | Histamine H3 Receptor, Mouse | 68 | 1.25 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 10 | 1.40 | Binding ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 11.6 | 1.39 | Binding ≤ 10μM |
| HRH4_MOUSE | Q91ZY2 | Histamine H4 Receptor, Mouse | 79.4328235 | 1.24 | Binding ≤ 10μM |
| HRH4_RAT | Q91ZY1 | Histamine H4 Receptor, Rat | 63.0957344 | 1.26 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 1000 | 1.05 | Functional ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 1000 | 1.05 | Functional ≤ 10μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 650 | 1.08 | Functional ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 88 | 1.23 | Functional ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 62 | 1.26 | Functional ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 1800 | 1.01 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 62 | 1.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Histamine receptors | |
| Histidine catabolism | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Organic cation transport |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Histamine receptors |
