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Merck
CN

E6877

[Ala1,3,11,15]-Endothelin 1

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About This Item

Empirical Formula (Hill Notation):
C109H163N25O32S
CAS Number:
Molecular Weight:
2367.67
NACRES:
NA.32
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
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storage temp.

−20°C

Quality Segment

SMILES string

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(O)=O

InChI

1S/C109H163N25O32S/c1-16-56(9)87(107(163)128-79(109(165)166)43-64-47-113-68-28-22-21-27-67(64)68)134-108(164)88(57(10)17-2)133-102(158)78(46-85(143)144)126-98(154)73(40-54(5)6)122-100(156)76(44-65-48-112-52-114-65)121-90(146)59(12)116-96(152)74(41-62-25-19-18-20-26-62)124-99(155)75(42-63-30-32-66(138)33-31-63)127-106(162)86(55(7)8)132-92(148)61(14)115-93(149)70(34-35-83(139)140)119-94(150)69(29-23-24-37-110)118-101(157)77(45-84(141)142)125-95(151)71(36-38-167-15)120-97(153)72(39-53(3)4)123-104(160)82(51-137)131-105(161)81(50-136)130-91(147)60(13)117-103(159)80(49-135)129-89(145)58(11)111/h18-22,25-28,30-33,47-48,52-61,69-82,86-88,113,135-138H,16-17,23-24,29,34-46,49-51,110-111H2,1-15H3,(H,112,114)(H,115,149)(H,116,152)(H,117,159)(H,118,157)(H,119,150)(H,120,153)(H,121,146)(H,122,156)(H,123,160)(H,124,155)(H,125,151)(H,126,154)(H,127,162)(H,128,163)(H,129,145)(H,130,147)(H,131,161)(H,132,148)(H,133,158)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,58-,59-,60-,61-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1

InChI key

NRTWVLDGYXCWHD-IGKRDWOESA-N

Gene Information

human ... EDNRB(1910)
mouse ... EDNRB(13618)
rat ... EDNRB(50672)

General description

[Ala1,3,11,15]-Endothelin 1 is a linear endothelin (ET)-1 analogue, and acts as an ETB receptor agonist. ET-1 is a peptide that acts as both, a vasodilator and a vasoconstrictor. It is a ligand for ET receptor, which is of two types, ETA and ETB. ETB receptor is found in the vascular endothelial cells of cardiovascular tissues.

Application

[Ala1,3,11,15]-Endothelin 1 may be used to assess the effects of endothelin-1 and [Ala1,3,11,15]-endothelin 1 produced by ETA and ETB receptors, in the presence of BQ-123, in anaesthetized rat.

Biochem/physiol Actions

Selective agonist for ETB endothelin receptors.


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)



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