| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 8 | Yes |
Popular Name: DL-2,4-Diaminobutyric acid dihydrochloride DL-2,4-Diaminobutyric acid dihyd…
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CAS Numbers: 127531-11-7 , 1758-80-1 , 1883-09-6 , 19391-83-4 , 26908-94-1 , 305-62-4 , 6232-19-5 , 65427-54-5 , 6970-28-1 , 73143-97-2 , [127531-11-7] , [1883-09-6] , [305-62-4] , [65427-54-5] , [73143-97-2]
"DL-2,4-Diaminobutyric acid dihydrochloride, 98%"
"L-2,4Diaminobutyric acid dihydrochloride, 98%"
(2S)-2,4-diaminobutanoic acid dihydrochloride
(R)-2,4-Diaminobutanoicaciddihydrochloride
(R)-2,4-Diaminobutyric acid dihydrochloride
(S)-(+)-2,4-Diamino-n-butyric Acid Dihydrochloride
(S)-(+)-2,4-DiaMinobutyric Acid Dihydrochloride
(S)-2,4-Diaminobutanoic acid dihydrochloride
(S)-2,4-Diaminobutanoic acid hydrobromide
(S)-2,4-Diaminobutanoicacidhydrobromide
1758-80-1; C03283; L-2,4-Diaminobutanoate; L-2,4-Diaminobutyrate; alpha,gamma-Diaminobutyrate
2,4-Diamino-butyric acid dihydrochloride
2,4-Diamino-butyric acid(GABA)
2,4-Diaminobutanoic acid dihydrochloride
2,4-Diaminobutanoic acid hydrochloride
2,4-diaminobutanoic acid; 6970-28-1; nsc41117
2,4-diaminobutanoic acid; Dbu; alpha,gamma-diaminobutanoic acid; alpha,gamma-diaminobutyric acid
butanoic acid, 2,4-diamino-, dihydrochloride
CHEBI:13045; CHEBI:13044; CHEBI:21191
D-2,4-Diaminobutyric acid dihydrochloride
DIAMINOBUTYRICACIDDIHYDROCHLORID
Dl-2,4-diaminobutyric acid diHCl
DL-2,4-Diaminobutyric acid dihydrochloride, 99%
L-2,4-diaminobutyrate anion; L-2,4-diaminobutyrate(1-)
L-2,4-Diaminobutyric acid DiHCl
L-2,4-Diaminobutyric acid dihydrochloride
L-2,4-Diaminobutyric acid dihydrochloride, 98+%, may cont. up to ca 10% monohydrochloride
L-2,4-Diaminobutyric acid hydrobromine
L-2,4-Diaminobutyricaciddihydrochloride
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 2.50 | 6.11 | -84.93 | 6 | 7 | 2 | 107 | 475.637 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 194-196 °C | Indofine |
| MP | 195 | TCI |
| ALOGPS_SOLUBILITY | 2.70e+02 g/l | DrugBank-experimental |
| MP | 203 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 198? dec. | Alfa-Aesar |
| Melting_Point | ca 198° dec. | Alfa-Aesar |
| Melting_Point | ca 200? dec. | Alfa-Aesar |
| Melting_Point | ca 200° dec. | Alfa-Aesar |
| UniProt Database Links | DAT_ACIBA; DAT_HAEIN; DDC_ACIBA; DDC_HAEIN; ECTA_BACHD; ECTA_BACSK; ECTA_BORBR; ECTA_BORPA; ECTA_CHRSD; ECTA_HALED; ECTA_MARHA; ECTA_META2; ECTA_NOCFA; ECTA_OCEIH; ECTA_SPOPA; ECTA_STRAQ; ECTA_STRAW; ECTA_STRCO; ECTA_VIBCH; ECTA_VIBPA; ECTA_VIRPA; ECTA_WO | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | NSPC_VIBAL | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S6A11-1-E | GABA Transporter 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 1.00 | Binding ≤ 10μM |
| S6A12-1-E | Betaine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2000 | 1.00 | Binding ≤ 10μM |
| S6A13-1-E | GABA Transporter 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 1.00 | Binding ≤ 10μM |
| SC6A1-2-E | GABA Transporter 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2000 | 1.00 | Binding ≤ 10μM |
| Z104301-2-O | GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other | Other | 33 | 1.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 33 | 1.31 | Binding ≤ 1μM |
| S6A12_RAT | P48056 | Betaine Transporter, Rat | 2000 | 1.00 | Binding ≤ 10μM |
| SC6A1_RAT | P23978 | GABA Transporter 1, Rat | 2000 | 1.00 | Binding ≤ 10μM |
| S6A13_RAT | P31646 | GABA Transporter 2, Rat | 2000 | 1.00 | Binding ≤ 10μM |
| S6A11_RAT | P31647 | GABA Transporter 3, Rat | 2000 | 1.00 | Binding ≤ 10μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 33 | 1.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Amino acid transport across the plasma membrane | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Reuptake of GABA |
No pre-computed analogs available. Try a structural similarity search.