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Targets
G protein-coupled receptors (GPCRs)
Bombesin receptors
2-[(5R)-4-{2-[3-(3-methylbutoxy)phenyl]acetyl}-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid , CAS No.R609480, Agonist of BB 3 receptor

2-[(5R)-4-{2-[3-(3-methylbutoxy)phenyl]acetyl}-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid , CAS No.R609480, Agonist of BB 3 receptor

Item Number

R609480

Grouped product items
SKU	Size	Availability	Price	Qty
R609480-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
R609480-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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Basic Description

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

IUPAC Name	2-[(5R)-4-{2-[3-(3-methylbutoxy)phenyl]acetyl}-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
INCHI	InChI=1S/C24H28F3N3O4/c1-15(2)8-11-34-17-5-3-4-16(12-17)13-21(31)30-10-9-28-23-18(19(30)14-22(32)33)6-7-20(29-23)24(25,26)27/h3-7,12,15,19H,8-11,13-14H2,1-2H3,(H,28,29)(H,32,33)/t19-/m1/s1
InChi Key	DFAPMGLBHDJMNX-LJQANCHMSA-N
Canonical SMILES	CC(CCOc1cccc(c1)CC(=O)N1CCNc2c([C@H]1CC(=O)O)ccc(n2)C(F)(F)F)C
Isomeric SMILES	CC(C)CCOC1=CC=CC(=C1)CC(=O)N2CCNC3=C([C@H]2CC(=O)O)C=CC(=N3)C(F)(F)F
PubChem CID	91827365

PubChem CID	91827365
GPCRdb Ligand	compound 9f [PMID: 24412111]

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1. Matsufuji T, Shimada K, Kobayashi S, Kawamura A, Fujimoto T, Arita T, Hara T, Konishi M, Abe-Ohya R, Izumi M et al.. (2014) Discovery of novel chiral diazepines as bombesin receptor subtype-3 (BRS-3) agonists with low brain penetration.. Bioorg Med Chem Lett, 24 (3): (750-5). [PMID:24412111]

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