| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 10 | No |
Popular Name: DL-Ethionine DL-Ethionine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13073-35-3 , 535-32-0 , 67-21-0 , [67-21-0]
(S)-2-Amino-4-(ethylthio)butanoic acid
13073-35-3; D,L-ethionine; D-ethionine; L-ethionine; ethionine
2-amino-4-(ethylsulfanyl)butanoic acid; ethionine
2-Amino-4-(ethylthio)butanoic acid
2-Amino-4-ethylmercaptobutyric acid
535-32-0; S-ethylhomocysteine; nsc97927
Dichloro(ethionine)platinum (II); LS-117735; Platinum (II), dichloro(ethionine)-
| 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) | -1.86 | 3.14 | -40.14 | 3 | 3 | 0 | 68 | 163.242 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.86 | 2.84 | -41.7 | 2 | 3 | -1 | 66 | 162.234 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 265 - 268 | Acros Organics |
| MP | 265-268 °C | Indofine |
| Purity | 95% | Fluorochem |
| therap | antineoplastic; inhibitor DNA methylation | MicroSource Spectrum |
| Melting_Point | ca 265? dec. | Alfa-Aesar |
| Melting_Point | ca 265° dec. | Alfa-Aesar |
| UniProt Database Links | ERC1_YEAST; METK1_CATRO; METK2_CATRO; METK3_CATRO; METK_NEUCR; MGL_ARATH; PTR2_ARATH; SEO1_YEAST | ChEBI |
| UniProt Database Links | ERC1_YEAST; METK1_CATRO; METK2_CATRO; METK3_CATRO; METK_NEUCR; PTR2_ARATH; SEO1_YEAST | ChEBI |
| H phrase | H341: Suspected of causing genetic defects | Acros Organics |
| H phrase | H341: Suspected of causing genetic defects; H351: Suspected of causing cancer; H361f: Suspected of damaging fertility | Acros Organics |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| R phrase | R40: Limited evidence of a carcinogenic effect. | Acros Organics |
| R phrase | R40: Limited evidence of a carcinogenic effect.; R62: Possible risk of impaired fertility.; R63: Possible risk of harm to the unborn child.; R68: Possible risks of irreversible effects. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1-4-E | Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 105 | 0.98 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1_MOUSE | O08532 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Mouse | 100 | 0.98 | Binding ≤ 1μM |
| CA2D1_MOUSE | O08532 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Mouse | 100 | 0.98 | Binding ≤ 10μM |
