Basic Description

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 Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Carperitide is a potentnatriuretic peptide receptor (NPR)-Aagonist with EC50 of 10.8 nM. Carperitide is used to treat congestive heart failure.

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
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

Product Properties

ALogP	-16.474
HBD Count	46
Rotatable Bond	80

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

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

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
INCHI	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
InChIKey	NSQLIUXCMFBZME-MPVJKSABSA-N
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
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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 Å²
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

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