| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 12 | Yes |
Popular Name: ARCAINE SULFATE ARCAINE SULFATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14923-17-2 , 36587-93-6 , 544-05-8 , [14923-17-2]
1,4-diguanidiniumylbutane dication; 1,4-diguanidiniumylbutane(2+); 1,4-diguanidinobutane
1,4-Diguanidinobutane sulfate salt
1,4-Diguanidinobutane; 544-05-8; Arcaine; C03047
1,4-diguanidinobutane; CPD-595
14923-17-2; Arcaine sulfate; Prestwick_1059
Arcaine; N,N'''-1,4-Butanediylbisguanidine; Tetramethylenediguanide
| 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) | -1.42 | 0.75 | -75.07 | 10 | 6 | 2 | 127 | 174.252 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | NO synthesis inhibitor, NMDA glutamate blocker | MicroSource Spectrum |
| Therapy | Potent competitive antagonist of the polyamine site on the NMDA glutmate receptor | SMDC MicroSource |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMD3A-1-E | Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9130 | 0.59 | Binding ≤ 10μM |
| NMD3B-1-E | Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9130 | 0.59 | Binding ≤ 10μM |
| NMDE1-4-E | Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 9130 | 0.59 | Binding ≤ 10μM |
| NMDE2-5-E | Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #5 Of 5), Eukaryotic | Eukaryotes | 9130 | 0.59 | Binding ≤ 10μM |
| NMDE3-4-E | Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 9130 | 0.59 | Binding ≤ 10μM |
| NMDE4-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9130 | 0.59 | Binding ≤ 10μM |
| NMDZ1-5-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic | Eukaryotes | 9130 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDZ1_HUMAN | Q05586 | Glutamate (NMDA) Receptor Subunit Zeta 1, Human | 9130 | 0.59 | Binding ≤ 10μM |
| NMD3A_HUMAN | Q8TCU5 | Glutamate [NMDA] Receptor Subunit 3A, Human | 9130 | 0.59 | Binding ≤ 10μM |
| NMD3B_HUMAN | O60391 | Glutamate [NMDA] Receptor Subunit 3B, Human | 9130 | 0.59 | Binding ≤ 10μM |
| NMDE1_HUMAN | Q12879 | Glutamate [NMDA] Receptor Subunit Epsilon 1, Human | 9130 | 0.59 | Binding ≤ 10μM |
| NMDE2_HUMAN | Q13224 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Human | 9130 | 0.59 | Binding ≤ 10μM |
| NMDE3_HUMAN | Q14957 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Human | 9130 | 0.59 | Binding ≤ 10μM |
| NMDE4_HUMAN | O15399 | Glutamate [NMDA] Receptor Subunit Epsilon 4, Human | 9130 | 0.59 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of CaMKII | |
| EPHB-mediated forward signaling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Unblocking of NMDA receptor, glutamate binding and activation |
