(2R)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S,5S,8S,11S,13Z,16S)-16-amino-2-[3-(diaminomethylideneamino)propyl]-8-(hydroxymethyl)-5-(2-methylpropyl)-3,6,9,17-tetraoxo-1,4,7,10-tetrazacycloheptadec-13-ene-11-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-c, Agonist of apelin receptor

Item Number
R609155
Grouped product items
SKUSizeAvailabilityPrice Qty
R609155-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$570.90
R609155-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90

Basic Description

Specifications & PurityMoligand™
GradeMoligand™
Action TypeAGONIST
Mechanism of actionAgonist of apelin receptor

Associated Targets(Human)

APLNR Tchem Apelin receptor (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

INCHI InChI=1S/C49H73N13O11/c1-28(2)24-36-45(69)61-38(27-63)46(70)58-34(17-6-5-16-32(51)41(65)56-35(44(68)59-36)19-10-22-54-49(52)53)43(67)57-33(18-7-8-21-50)42(66)55-26-40(64)62-23-11-20-39(62)47(71)60-37(48(72)73)25-30-14-9-13-29-12-3-4-15-31(29)30/h3-6,9,12-15,28,32-39,63H,7-8,10-11,16-27,50-51H2,1-2H3,(H,55,66)(H,56,65)(H,57,67)(H,58,70)(H,59,68)(H,60,71)(H,61,69)(H,72,73)(H4,52,53,54)/b6-5-/t32-,33-,34-,35-,36-,37+,38-,39-/m0/s1
InChi Key VXVNSDXGZQXERO-NXDMJTDOSA-N
Canonical SMILES N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C\C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1c2ccccc2ccc1
Isomeric SMILES CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C/C=C\C[C@@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](CC3=CC=CC4=CC=CC=C43)C(=O)O)CO
PubChem CID 162679539

Certificates

C of A & Other Certificates

Related Documents

References

1. Tran K, Sainsily X, Côté J, Coquerel D, Couvineau P, Saibi S, Haroune L, Besserer-Offroy É, Flynn-Robitaille J, Resua Rojas M et al..  (2022)  Size-Reduced Macrocyclic Analogues of [Pyr1]-apelin-13 Showing Negative Gα12 Bias Still Produce Prolonged Cardiac Effects..  J Med Chem,  65  (1): (531-551).  [PMID:34982553] [10.1021/op500134e]

Solution Calculators