Carperitide Acetate (alpha-human atrial natriuretic peptide) - 10mM in Water , CAS No.89213-87-6

CAS: 89213-87-6 Cat. No.: C426705 Molecular Weight: 3080.44 EC Number: 686-482-9 PubChem CID: 16129708

GRADE & PURITY 10mM in Water

Synonyms

Carperitide|Atriopeptin|Atriopeptins|Cardionatrin|alpha-Atriopeptin|89213-87-6|Atrial Natriuretic Peptide|Auriculin (peptide)|SUN-4936|Atrial natriuretic peptides|Natriuretic peptides, atrial|Atrial natriuretic peptide A|85637-73-6|Atrial natriuretic pept

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Carperitide is a potentnatriuretic peptide receptor (NPR)-Aagonist with EC50 of 10.8 nM. Carperitide is used to treat congestive heart failure.

Specifications

Synonyms

Carperitide | Atriopeptin | Atriopeptins | Cardionatrin | alpha-Atriopeptin | 89213-87-6 | Atrial Natriuretic Peptide | Auriculin (peptide) | SUN-4936 | Atrial natriuretic peptides | Natriuretic peptides, atrial | Atrial natriuretic peptide A | 85637-73-6 | Atrial natriuretic pept

Specifications & Purity

10mM in Water

Biochemical and Physiological Mechanisms

Cav 2.2 blocker 1 (compound 9) is a N-type calcium channel (Cav 2.2) blocker for the treatment of pain with IC50 of 1 nM.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: -16.474
• HBD Count: 46
• Rotatable Bond: 80

Names and Identifiers

• Canonical Smiles: CCC(C)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CC(=O)O)CCSC)CCCNC(=N)N)CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CO)N)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)CC(C)C)CO)CCC(=O)N)C
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52R)-52-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-19-(3-amino-3-oxopropyl)-49-benzyl-28-[(2S)-butan-2-yl]-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-37-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
• InChIKey: NSQLIUXCMFBZME-MPVJKSABSA-N
• INCHI: 1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)CCSC)CCCNC(=N)N)CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)CC(C)C)CO)CCC(=O)N)C
• PubChem CID: 16129708
• Molecular Weight: 3080.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Class Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Class: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Cyclic peptides Tyrosine and derivatives Arginine and derivatives Phenylalanine and derivatives Asparagine and derivatives Leucine and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives N-acyl amines Lactams Organic disulfides Primary carboxylic acid amides Guanidines Secondary carboxylic acid amides Amino acids Azacyclic compounds Dialkylthioethers Carboxylic acids Carboximidamides Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Imines Monoalkylamines Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Cyclic alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Arginine or derivatives - Leucine or derivatives - Asparagine or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - 3-phenylpropanoic-acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty amide - Dicarboxylic acid or derivatives - N-acyl-amine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Guanidine - Amino acid - Amino acid or derivatives - Lactam - Carboxamide group - Organic disulfide - Primary carboxylic acid amide - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid derivative - Azacycle - Carboxylic acid - Thioether - Carboximidamide - Sulfenyl compound - Organoheterocyclic compound - Primary amine - Imine - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Alcohol - Primary alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NPR1 Tclin Atrial natriuretic peptide receptor A (169 Activities)

Discover Target: NPR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

NPR2 Atrial natriuretic peptide receptor B (10 Activities)

Discover Target: NPR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Water(mM) Max Solubility: 10
• Molecular Weight: 3080.500 g/mol
• XLogP3: -14.900
• Hydrogen Bond Donor Count: 53
• Hydrogen Bond Acceptor Count: 48
• Rotatable Bond Count: 75
• Exact Mass: 3079.45 Da
• Monoisotopic Mass: 3078.44 Da
• Topological Polar Surface Area: 1480.000 Ų
• Heavy Atom Count: 214
• Formal Charge: 0
• Complexity: 6940.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 24
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1