| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | Yes |
Popular Name: 3-IODO-L-TYROSINE 3-IODO-L-TYROSINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16624-40-1 , 3078-39-5 , 70-78-0 , [25799-58-0] , [70-78-0]
(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; MIT
(S)-2-Amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
(S)-2-Amino-3-(4-hydroxy-3-iodophenyl)propionic acid
16624-40-1; D04597; Iotyrosine I 131 (USAN)
2-Amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
2-Amino-3-(4-hydroxy-3-iodophenyl)propionic acid
3-Iodo-L-tyrosine; 70-78-0; C02515
3-iodo-L-tyrosine; CPD-12288; iodotyrosine; monoiodo-L-tyrosine; monoiodo-tyrosine
| 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) | -0.44 | 2.31 | -38.11 | 4 | 4 | 0 | 88 | 307.087 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 3.07 | -60.28 | 3 | 4 | -1 | 91 | 306.079 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 196 - 198 | Acros Organics |
| Melting_Point | 210? dec | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 9.37e-01 g/l | DrugBank-experimental |
| Purity | 95% | Fluorochem |
| UniProt Database Links | ALR1_YEAST; ALR2_YEAST; CH1B1_MOUSE; CH1B2_MOUSE; CH2BA_XENLA; CH2BB_XENLA; CHM1A_DANRE; CHM1A_HUMAN; CHM1A_MOUSE; CHM1A_PONAB; CHM1A_XENLA; CHM1B_BOVIN; CHM1B_CHICK; CHM1B_DANRE; CHM1B_HUMAN; CHM1B_XENLA; CHM1B_XENTR; CHM2A_CHICK; CHM2A_DANRE; CHM2A_HUMA | ChEBI |
| Notes | Inhibitor of tyrosin hydroxylase | Apollo Scientific Bioactives |
| Reactome Database Links | REACT_15360; REACT_15389; REACT_15445 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TY3H-1-E | Tyrosine 3-hydroxylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 720 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TY3H_HUMAN | P07101 | Tyrosine 3-hydroxylase, Human | 720 | 0.61 | Binding ≤ 1μM |
| TY3H_RAT | P04177 | Tyrosine 3-hydroxylase, Rat | 1.4 | 0.89 | Binding ≤ 1μM |
| TY3H_HUMAN | P07101 | Tyrosine 3-hydroxylase, Human | 720 | 0.61 | Binding ≤ 10μM |
| TY3H_RAT | P04177 | Tyrosine 3-hydroxylase, Rat | 1.4 | 0.89 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Thyroxine biosynthesis |
| Description | Species |
|---|---|
| Catecholamine biosynthesis |
