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Chemical structure of TRV-120027

GC70070

TRV-120027

Also known as (2R)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid

TRV120027 is a β-arrestin-1 agonist for angiotensin II type 1 receptor (AT1R)· TRV120027 induces acute catecholamine secretion through coupling with the cation channel subfamily C3 (TRPC3), promoting the formation of a large molecular complex consisting of AT1R-β-arrestin-1-TRPC3-PLCγ on the plasma membrane· TRV120027 inhibits angiotensin II-mediated vasoconstriction and increases myocardial contractility· It has potential for use in research on acute decompensated heart failure (ADHF)

ChemicalCAS1234510-46-3MW926.07FormulaC43H67N13O10
CAS number
1234510-46-3
Molecular weight
926.07
Formula
C43H67N13O10
Solubility
H2O ： 100 mg/mL (107·98 mM; ultrasonic and warming and heat to 60°C)
InChIKey
XIEWFECSPPTVQN-KMIMAYJXSA-N
Catalogue number
GC70070
Brand
GLPBIO
Computed properties PubChem CID 3082475 · XLogP -2.3 · TPSA 358 Ų · H-bond donors 12
XLogP
-2.3
TPSA
358 Ų
H-bond donors
12
H-bond acceptors
13
Rotatable bonds
26
Heavy atoms
66

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC

Computed descriptors from PubChem (CID 3082475), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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