Corazonin - ≥97%(HPLC) , CAS No.122929-08-2

CAS: 122929-08-2 Cat. No.: C118796 分子式: C₆₂H₈₄N₁₈O₁₈ 分子量: 1369.44 PubChem CID: 102167817

GRADE & PURITY ≥97%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

pGlu-Thr-Phe-Gln-Tyr-Ser-Arg-Gly-Trp-Thr-Asn-NH2

Specifications

仕様と純度

≥97%(HPLC)

生化学的・生理学的メカニズム

Cardioaccelerating peptide originally isolated from the corpus cardiacum of the American cockroach; the most potent insect cardioactive neuropeptide.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%(HPLC)

名前と識別子

• パブケム・シド: 528776725
• カノニカル・スマイル: CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C5CCC(=O)N5)O
• IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
• InChIKey: UOABGUNWRLWTJU-YPKDOBRCSA-N
• INCHI: 1S/C62H84N18O18/c1-30(82)50(60(97)75-41(52(65)89)26-47(64)86)80-58(95)44(25-34-27-69-37-12-7-6-11-36(34)37)72-49(88)28-70-53(90)38(13-8-22-68-62(66)67)73-59(96)45(29-81)78-57(94)42(24-33-14-16-35(84)17-15-33)76-54(91)40(18-20-46(63)85)74-56(93)43(23-32-9-4-3-5-10-32)77-61(98)51(31(2)83)79-55(92)39-19-21-48(87)71-39/h3-7,9-12,14-17,27,30-31,38-45,50-51,69,81-84H,8,13,18-26,28-29H2,1-2H3,(H2,63,85)(H2,64,86)(H2,65,89)(H,70,90)(H,71,87)(H,72,88)(H,73,96)(H,74,93)(H,75,97)(H,76,91)(H,77,98)(H,78,94)(H,79,92)(H,80,95)(H4,66,67,68)/t30-,31-,38+,39+,40+,41+,42+,43+,44+,45+,50+,51+/m1/s1
• 異性体SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]5CCC(=O)N5)O
• WGKドイツ: 3
• PubChem CID: 102167817
• 分子量: 1369.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • 分類 Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• 分類: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Tyrosine and derivatives Phenylalanine and derivatives Glutamine and derivatives Asparagine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Tryptamines and derivatives Serine and derivatives Alpha amino acid amides Amphetamines and derivatives 3-alkylindoles Pyrrolidinecarboxamides 1-hydroxy-2-unsubstituted benzenoids Pyrrolidine-2-ones Substituted pyrroles N-acyl amines Heteroaromatic compounds Secondary alcohols Lactams Secondary carboxylic acid amides Guanidines Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Hydrocarbon derivatives Organic oxides Primary alcohols Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Glutamine or derivatives - Asparagine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Serine or derivatives - Alpha-amino acid amide - Triptan - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - 3-alkylindole - Amphetamine or derivatives - Indole - Indole or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - Benzenoid - Pyrrole - Pyrrolidine - Heteroaromatic compound - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Lactam - Guanidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organopnictogen compound - Alcohol - Carbonyl group - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 1369.400 g/mol
• XLogP3: -6.000
• Hydrogen Bond Donor Count: 21
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 39
• Exact Mass: 1368.62 Da
• Monoisotopic Mass: 1368.62 Da
• Topological Polar Surface Area: 610.000 Ų
• Heavy Atom Count: 98
• Formal Charge: 0
• Complexity: 2840.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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

参考文献

1. Qi Hua, Xuepeng Chi, Wei Zhang, Hongyu Song, Ying Wang, Zhenguo Liu, Hongfang Wang, Baohua Xu.  (2024)  Damage to the behavior and physiological functions of Apis mellifera (Hymenoptera: Apidae) by monocrotaline via the modulation of tryptophan metabolism and the corazonin receptor.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:39218096] [10.1016/j.scitotenv.2024.175931]