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ELA-11 (human)

CAT: 0804-HY-P2197-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P2197-01Size:1 mg
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Description
ELA-11 (human), a peptide, is a full agonist of human apelin receptor, with a pKi of 7.85. ELA-11 (human) completely inhibits Forskolin-induced cAMP production and stimulates β-arrestin recruitment[1].
CAS Number
1784687-32-6
UNSPSC
12352209
Target
Apelin Receptor (APJ) ; Arrestin
Type
Peptides
Related Pathways
GPCR/G Protein
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ela-11-human.html
Purity
99.54
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
O=C(N1[C@@H](CCC1)C(O)=O)[C@H](CC2=CC=CC=C2)NC([C@H]3N(CCC3)C([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC([C@H](CO)NC([C@@H](NC([C@H](CC(C)C)NC([C@H]4N(CCC4)C([C@H](CCSC)NC([C@@H](N)CS)=O)=O)=O)=O)CC5=CN=CN5)=O)=O)=O)=O)=O
Molecular Formula
C58H90N16O13S2
Molecular Weight
1283.56
References & Citations
[1]Yang P, et, al. Elabela/Toddler Is an Endogenous Agonist of the Apelin APJ Receptor in the Adult Cardiovascular System, and Exogenous Administration of the Peptide Compensates for the Downregulation of Its Expression in Pulmonary Arterial Hypertension. Circulation. 2017 Mar 21;135 (12) :1160-1173.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light, under nitrogen)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Elabela/Toddler-11
CAS Number1784687-32-6
PubChem CID127043376
IUPAC Name(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC58H90N16O13S2
Molecular Weight1283.6
XLogP-2.7
Topological Polar Surface Area468
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count34
Heavy Atom Count89
Formal Charge0
Complexity2470
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCSC)NC(=O)[C@H](CS)N
InChI
InChI=1S/C58H90N16O13S2/c1-32(2)25-39(68-52(81)43-16-10-21-72(43)54(83)38(19-24-89-5)66-47(76)36(59)30-88)49(78)67-40(27-35-28-62-31-64-35)50(79)70-42(29-75)51(80)65-37(15-9-20-63-58(60)61)48(77)71-46(33(3)4)56(85)73-22-11-17-44(73)53(82)69-41(26-34-13-7-6-8-14-34)55(84)74-23-12-18-45(74)57(86)87/h6-8,13-14,28,31-33,36-46,75,88H,9-12,15-27,29-30,59H2,1-5H3,(H,62,64)(H,65,80)(H,66,76)(H,67,78)(H,68,81)(H,69,82)(H,70,79)(H,71,77)(H,86,87)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
InChIKey
XXKPNJFJXZBRMX-HDKAIKTRSA-N
Chemical Structure
2D Structure
2D structure of Elabela/Toddler-11
CAS: 1784687-32-6
CID: 127043376
Formula: C58H90N16O13S2
MW: 1283.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1283.6
XLogP3-2.7
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count34
Exact Mass1282.63146934
Monoisotopic Mass1282.63146934
Topological Polar Surface Area468 Ų
Heavy Atom Count89
Formal Charge0
Complexity2470
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes