TA 0910 acid-type
Basic information
- CAS
103300-77-2- Standard SMILES
CN1C[C@@](C[C@H](N)C(=O)N2CCC[C@H]2C(=O)O)(C(=O)c2nccc(=O)[nH]2)NC1=O- InChIKey
JOUVZSDETNOQNE-YMNVWFMLSA-N- Molecular formula
- C17H22N6O6
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.16008244
Overview
RN given for hydrate (4:5), (S)-isomer; metabolite of TA-0910; structure in first source
Names & identifiers
- Preferred name
- TA 0910 acid-type
- IUPAC
- (2S)-1-[(2S)-2-amino-3-[(4S)-1-methyl-2-oxo-4-(6-oxo-1H-pyrimidine-2-carbonyl)imidazolidin-4-yl]propanoyl]pyrrolidine-2-carboxylic acid
- English name
- TA 0910 acid-type
- Molecular formula
- C17H22N6O6
- Molecular weight
- 406.39
Names & synonyms
TA-0910 acid-typeDTXSID70145775RefChem:187079DTXCID2068266TA 0910 acid-type(2S)-1-[(2S)-2-amino-3-[(4S)-1-methyl-2-oxo-4-(6-oxo-1H-pyrimidine-2-carbonyl)imidazolidin-4-yl]propanoyl]pyrrolidine-2-carboxylic acidTaltirelin Impurity 1((S)-2-amino-3-((S)-1-methyl-2-oxo-4-(6-oxo-1,6-dihydropyrimidine-2-carbonyl)imidazolidin-4-yl)propanoyl)-L-prolineL-Proline, 1-(N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl)-, (S)-, hydrate (4:5)1-{(2S)-2-Amino-3-[(4S)-1-methyl-2-oxo-4-(6-oxo-1,6-dihydropyrimidine-2-carbonyl)imidazolidin-4-yl]propanoyl}-L-prolineTaltirelin ImpurityTaltirelinImpurity1-13C-d3
Show more names
(4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-L-prolineN-[1-Methyl-2,6-dioxohexahydropyrimidin-4(S)-ylcarbonyl]-L-histidyl-L-prolineL-Proline, (4S)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 838
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesTA 0910 acid-type is a metabolite of TA 0910. TA-0910 is a metabolically stable analogue of thyrotropin releasing hormone (TRH)[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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