Plecanatide

CAT: 1568-C06867Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C06867Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

467426-54-6

SKU

C06867-5mg

Molecular Formula

C65H104N18O26S4

Additionnal Information

Plecanatide, an analogue of Uroguanylin, is an orally active guanylate cyclase-C (GC-C) receptor agonist. Plecanatide activates GC-C receptors to stimulate cGMP synthesis with an EC50 of 190 nM in T84 cells assay. Plecanatide shows anti-inflammatory activity in models of murine colitis.

Storage Conditions

3 years-20°C powder

Chemical Information

Plecanatide

Plecanatide is a drug approved in January 2017 by the FDA for the treatment of chronic idiopathic constipation (CIC). It should not be used in children less than six years of age, and should be avoided in patients six years to 18 years of age

CAS Number	467426-54-6
PubChem CID	70693500
IUPAC Name	(2S)-2-[[(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-25-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-4-methyl-19-(2-methylpropyl)-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-7,13-di(propan-2-yl)-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecazabicyclo[14.13.13]dotetracontane-38-carbonyl]amino]-4-methylpentanoic acid
Molecular Formula	C65H104N18O26S4
Molecular Weight	1681.9
XLogP	-8.2
Topological Polar Surface Area	819
Hydrogen Bond Donor Count	23
Hydrogen Bond Acceptor Count	31
Rotatable Bond Count	28
Heavy Atom Count	113
Formal Charge	0
Complexity	3490

SMILES

C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1

InChIKey

NSPHQWLKCGGCQR-DLJDZFDSSA-N

Chemical Structure

2D Structure

CAS: 467426-54-6

CID: 70693500

Formula: C65H104N18O26S4

MW: 1681.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1681.9
XLogP3	-8.2
Hydrogen Bond Donor Count	23
Hydrogen Bond Acceptor Count	31
Rotatable Bond Count	28
Exact Mass	1680.6252002
Monoisotopic Mass	1680.6252002
Topological Polar Surface Area	819 Å²
Heavy Atom Count	113
Formal Charge	0
Complexity	3490
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
M24417-01	Plecanatide
HY-108741R	Plecanatide (Standard)
HY-108741A-01	Plecanatide (acetate)
MBS3845823-01	Plecanatide acetate
A21393-50	Plecanatide acetate 50mg
A21393-25	Plecanatide acetate 25mg
A21393-1	Plecanatide acetate 1mg
A21393-100	Plecanatide acetate 100mg
A21393-10	Plecanatide acetate 10mg
A21393-5	Plecanatide acetate 5mg

Plecanatide

Chemical Information

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