Elabela(19-32) is the active fragment of ELABELA (ELA) that binds to the apelin receptor (APJ). Elabela(19-32) activates Gαi1 and β-arrestin-2 signaling pathways with EC50 of 8.6 nM and 166 nM respectively. Elabela(19-32) induces receptor internalization, reduces arterial pressure, and produces positive inotropic effects on the heart.

Physicochemical Properties

Molecular Formula	C75H119N25O17S2
Molecular Weight	1707.03467202187
Exact Mass	1705.865
CAS #	1886973-05-2
Related CAS #	Elabela(19-32) TFA
PubChem CID	127043902
Appearance	White to off-white solid powder
LogP	-3.6
Hydrogen Bond Donor Count	21
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	48
Heavy Atom Count	119
Complexity	3580
Defined Atom Stereocenter Count	14
SMILES	S(C)CC[C@@H](C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(N[C@@H](CCC/N=C(\N)/N)C(N[C@@H](C(C)C)C(N1CCC[C@H]1C(N[C@@H](CC1C=CC=CC=1)C(N1CCC[C@H]1C(=O)O)=O)=O)=O)=O)=O)=O)CC1=CN=CN1)=O)CC(C)C)=O)=O)NC([C@H](CS)NC([C@H](CCC/N=C(\N)/N)NC([C@H](CCC/N=C(\N)/N)NC([C@@H]1CCC(N1)=O)=O)=O)=O)=O
InChi Key	LKYSPGTYQNANFL-GYVBEWGNSA-N
InChi Code	InChI=1S/C75H119N25O17S2/c1-40(2)33-49(93-67(111)54-20-12-29-98(54)69(113)48(25-32-119-5)91-66(110)53(38-118)96-60(104)45(18-10-27-84-74(78)79)88-59(103)44(17-9-26-83-73(76)77)89-61(105)47-23-24-57(102)87-47)63(107)92-50(35-43-36-82-39-86-43)64(108)95-52(37-101)65(109)90-46(19-11-28-85-75(80)81)62(106)97-58(41(3)4)71(115)99-30-13-21-55(99)68(112)94-51(34-42-15-7-6-8-16-42)70(114)100-31-14-22-56(100)72(116)117/h6-8,15-16,36,39-41,44-56,58,101,118H,9-14,17-35,37-38H2,1-5H3,(H,82,86)(H,87,102)(H,88,103)(H,89,105)(H,90,109)(H,91,110)(H,92,107)(H,93,111)(H,94,112)(H,95,108)(H,96,104)(H,97,106)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-/m0/s1
Chemical Name	(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	IC50: 8.6 nM (Gαi1) and 166 nM (β-arrestin-2)[1]
ln Vitro	The radioligand apelin-13 [Glp65, Nle75 with Ki of 0.93 nM >, tyrosine 77][125I][1] is bound by Elabela (19-32) (analogue 3). When HA-hAPJ receptor is transiently expressed in HEK293 cells, Elabela (19-32) exhibits an EC50 of 36 nM. Apelin-13 and ELA are slightly more effective than Elabela (19-32) at starting receptor internalization [1]. With an EC50 of 1.5 pM, Elabela (19-32) (0.001 to 0.3 nM) alters left ventricular developed pressure (LVDP) in isolated rat hearts that are perfused with Langendorff [1].
ln Vivo	Rat plasma quickly metabolizes Elabela (19-32) (analog 3) (t1/2<2 minutes) [1].
References	[1]. Discovery and Structure-Activity Relationship of a Bioactive Fragment of ELABELA That Modulates Vascular and Cardiac Functions. J Med Chem. 2016 Apr 14;59(7):2962-72.

Solubility Data

Solubility (In Vitro)	H2O: 100 mg/mL (58.58 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 50 mg/mL (29.29 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	0.5858 mL	2.9290 mL	5.8581 mL
	5 mM	0.1172 mL	0.5858 mL	1.1716 mL
	10 mM	0.0586 mL	0.2929 mL	0.5858 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.