Basic information
- CAS
95729-65-0- Standard SMILES
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(=O)N1- InChIKey
WBGUMUGCONUXFK-DCAQKATOSA-N- Molecular formula
- C15H20N6O4
- Average molar mass
- 348.36 g/mol
- Monoisotopic mass
- 348.15460314
Overview
Azetirelin is a histidine derivative.
Names & identifiers
- Preferred name
- Azetirelin
- IUPAC
- (2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
- English name
- Azetirelin
- Molecular formula
- C15H20N6O4
- Molecular weight
- 348.36
Names & synonyms
Azetirelin95729-65-0AzetirelinaAzetirelineAzetirelinum70J5AWG54QDTXSID20241938YM-14673RefChem:116082DTXCID50164429Azetirelin [INN]Azetirelin (~85%)
Show more names
Nα-[(S)-4-Oxo-2-azetidinyl]carbonyl-L-His-L-Pro-NH2Nα-[[(S)-4-Oxo-2-azetidinyl]carbonyl]-L-His-L-Pro-NH2L-Prolinamide, (2S)-4-oxo-2-azetidinecarbonyl-L-histidyl-Nα-[((S)-4-oxo-2-azetidinyl)carbonyl]-L-histidyl-L-prolineamide1-[Nα-[[(S)-4-Oxo-2-azetidinyl]carbonyl]-L-histidyl]-L-prolinamide
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide(-)-N-(((2S)-4-Oxo-2-azetidinyl)carbonyl)-L-histidyl-L-prolinamideAzetireline [INN-French]Azetirelinum [INN-Latin]Azetirelina [INN-Spanish]UNII-70J5AWG54QNT 36; YM 14673(2S)-4-Oxo-2-azetidinecarbonyl-L-histidyl-L-prolinamide; (S)-N-[(4-Oxo-2-azetidinyl)carbonyl]-L-histidyl-L-prolinamide; NT 36; YM 14673;
Database identifiers
- CAS
95729-65-0- PubChem CID
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- Melting point
- 125 °C · >125°C (dec.)
- Boiling point
- 997.1 · 997.1±65.0 °C(Predicted)
- Density
- 1.469 · 1.469±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Very Slightly, Heated)
- form
- Solid
- pka
- 13.98 · 13.98±0.40(Predicted)
- color
- Off-White
- FDA UNII
- 70 J5AWG54Q · 70J5AWG54Q
Chemistry & industry
Applications
UsesAzetirelin is a thyrotropin-releasing hormone (TRH) analogue. It demonstrated neuroprotective activity in rats.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
华世药业（南京）有限公司025-57672321 13739186949 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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