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Relamorelin

CAT: 1410-M34692-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Relamorelin (BIM28131, RM131) is a selective and potent ghrelin/growth hormone secretagogue receptor (GHSR) agonist with high affinity for GHS-1a receptor (Ki value is 0.42 ± 0.063 nM) . Relamorelin (BIM28131, RM131) is also a centrally permeable pentapeptide analog that can increase growth hormone levels and accelerate gastric emptying, and has the potential to study cachexia.
CAS Number
661472-41-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
790.97
Molecular Formula
C43H50N8O5S
Notes
Research use only, not for human use.
Receptor
GHSR

Chemical Information

Relamorelin

Relamorelin has been investigated for the treatment and basic science of Gastroparesis, Gastric Motility, Diabetes Mellitus, Parkinson's Disease, and Chronic Constipation, among others.

CAS Number661472-41-9
PubChem CID44251769
IUPAC Name4-[[(2S)-2-[[(2R)-2-[[(2R)-3-(1-benzothiophen-3-yl)-2-(piperidine-4-carbonylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]piperidine-4-carboxamide
Molecular FormulaC43H50N8O5S
Molecular Weight791.0
XLogP3.6
Topological Polar Surface Area228
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count57
Formal Charge0
Complexity1400
SMILES
C1CNCCC1C(=O)N[C@H](CC2=CSC3=CC=CC=C32)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)NC7(CCNCC7)C(=O)N
InChI
InChI=1S/C43H50N8O5S/c44-42(56)43(16-20-46-21-17-43)51-41(55)34(22-27-8-2-1-3-9-27)49-39(53)35(23-29-25-47-33-12-6-4-10-31(29)33)50-40(54)36(48-38(52)28-14-18-45-19-15-28)24-30-26-57-37-13-7-5-11-32(30)37/h1-13,25-26,28,34-36,45-47H,14-24H2,(H2,44,56)(H,48,52)(H,49,53)(H,50,54)(H,51,55)/t34-,35+,36+/m0/s1
InChIKey
KUBPNVYPKPWGRJ-LIVOIKKVSA-N
Chemical Structure
2D Structure
2D structure of Relamorelin
CAS: 661472-41-9
CID: 44251769
Formula: C43H50N8O5S
MW: 791.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight791.0
XLogP33.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass790.36248790
Monoisotopic Mass790.36248790
Topological Polar Surface Area228 Ų
Heavy Atom Count57
Formal Charge0
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes