| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 9 | Yes |
Popular Name: Piperidine-1-carboxamidine hemisulfate Piperidine-1-carboxamidine hemis…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 102392-91-6 , 17238-53-8 , 332367-56-3 , 41316-49-8 , 4705-39-9 , 92658-58-7 , [102392-91-6] , [41316-49-8] , [4705-39-9] , [92658-58-7]
bis(piperidine-1-carboximidamide); sulfuric acid
Piperidine-1-carboxamidine 1/2H2SO4
Piperidine-1-carboxamidine hydrochloride
Piperidine-1-carboxamidinium acetate
piperidine-1-carboxamidiniumacetate
piperidine-1-carboximidamide hydrobromide
Piperidine-1-carboximidamide hydrochloride
piperidine-1-carboximidamide hydroiodide
Piperidine-1-carboximidamide sulfate
| 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) | 0.33 | 3.81 | -27.95 | 4 | 3 | 1 | 55 | 128.199 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 110.6 - 111.7 | Acros Organics |
| MP | 289 - 291 | Enamine Building Blocks |
| MP | 289...291 | Enamine Building Blocks |
| MP | 298-302° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | >97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THRB-3-E | Prothrombin (cluster #3 Of 8), Eukaryotic | Eukaryotes | 150 | 1.06 | Binding ≤ 10μM |
| TRY1-2-E | Trypsin I (cluster #2 Of 5), Eukaryotic | Eukaryotes | 360 | 1.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THRB_HUMAN | P00734 | Thrombin, Human | 150 | 1.06 | Binding ≤ 1μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 360 | 1.00 | Binding ≤ 1μM |
| TRY1_BOVIN | P00760 | Trypsin I, Bovin | 360 | 1.00 | Binding ≤ 1μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 150 | 1.06 | Binding ≤ 10μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 360 | 1.00 | Binding ≤ 10μM |
| TRY1_BOVIN | P00760 | Trypsin I, Bovin | 360 | 1.00 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cell surface interactions at the vascular wall | |
| Cobalamin (Cbl, vitamin B12) transport and metabolism | |
| Common Pathway | |
| G alpha (q) signalling events | |
| Gamma-carboxylation of protein precursors | |
| Intrinsic Pathway | |
| Peptide ligand-binding receptors | |
| Platelet Aggregation (Plug Formation) | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Removal of aminoterminal propeptides from gamma-carboxylated proteins | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu |
No pre-computed analogs available. Try a structural similarity search.