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Montirelin

CAT: 0013-GTR19193466-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193466-02Size:50 mg
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Description
Montirelin is a synthetic thyrotropin-releasing hormone (TRH) analog. It is used in neuroscience and endocrinology research to study TRH receptor signaling, neuroprotection, and cognitive functions in both in vitro cellular assays and in vivo animal models.
CAS Number
90243-66-6
Field of Research
Metabolism Research
Smiles
C ([C@H] (CC1=CN=CN1) NC (=O) [C@H]2NC (=O) [C@@H] (C) SC2) (=O) N3[C@H] (C (N) =O) CCC3
Molecular Formula
C17H24N6O4S
Molecular Weight
408.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Montirelin

Montirelin is an oligopeptide.

CAS Number90243-66-6
PubChem CID6917793
IUPAC Name(3R,6R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide
Molecular FormulaC17H24N6O4S
Molecular Weight408.5
XLogP-1.7
Topological Polar Surface Area176
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity647
SMILES
C[C@@H]1C(=O)N[C@@H](CS1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N
InChI
InChI=1S/C17H24N6O4S/c1-9-15(25)22-12(7-28-9)16(26)21-11(5-10-6-19-8-20-10)17(27)23-4-2-3-13(23)14(18)24/h6,8-9,11-13H,2-5,7H2,1H3,(H2,18,24)(H,19,20)(H,21,26)(H,22,25)/t9-,11+,12+,13+/m1/s1
InChIKey
RSHMQGIMHQPMEB-IXOXFDKPSA-N
Chemical Structure
2D Structure
2D structure of Montirelin
CAS: 90243-66-6
CID: 6917793
Formula: C17H24N6O4S
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP3-1.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass408.15797444
Monoisotopic Mass408.15797444
Topological Polar Surface Area176 Ų
Heavy Atom Count28
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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