アナモレリン - ≥98% , CAS No.249921-19-5

CAS: 249921-19-5 Cat. No.: A125440 分子式: C₃₁H₄₂N₆O₃ 分子量: 546.7 EC番号: 111-195-8

GRADE & PURITY ≥98%

Synonyms

RC-1291｜SCG-269985｜UNII-6MUC9717YK｜HY-14734｜RC-1291；ONO-7643｜ST-1291｜UNII-DD5RBA1NKF｜Q20707542｜RC-1291｜AKOS030526752｜BCP06108｜2-Methyl-4-(2-phenyldiazenyl)phenol｜Anamorelin｜ANAMORELIN [WHO-DD]｜DB06645｜CCG-5137｜RC 1291｜DD5

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要

アナモレリン（RC1291；ONO-7643）は、非小細胞肺癌に伴う悪液質／食欲不振の治療薬として開発中の経口活性グレリン受容体作動薬である。

Specifications

同義語

RC-1291｜SCG-269985｜UNII-6MUC9717YK｜HY-14734｜RC-1291；ONO-7643｜ST-1291｜UNII-DD5RBA1NKF｜Q20707542｜RC-1291｜AKOS030526752｜BCP06108｜2-Methyl-4-(2-phenyldiazenyl)phenol｜Anamorelin｜ANAMORELIN [WHO-DD]｜DB06645｜CCG-5137｜RC 1291｜DD5

仕様と純度

≥98%

生化学的・生理学的メカニズム

アナモレリン塩酸塩は、食欲刺激作用と同化作用を有する低分子グレリン模倣薬の経口生物学的利用可能な塩酸塩である。アナモレリンは、成長ホルモン分泌促進因子であるグレリンと結合し、成長ホルモンの分泌を促進する。

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥98%

名前と識別子

• パブケム・シド: 528776303
• カノニカル・スマイル: CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC(C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N
• IUPAC Name: 2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
• InChIKey: VQPFSIRUEPQQPP-MXBOTTGLSA-N
• INCHI: 1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1
• 異性体SMILES: CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@](C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N
• 分子量: 546.7
• Reaxy-Rn: 13610248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13610248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: 3-benzylpiperidines N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Piperidinecarboxamides N-acylpiperidines Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Carboxylic acid hydrazides Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - 3-benzylpiperidine - Benzylpiperidine - Alpha-amino acid amide - Triptan - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - N-acyl-piperidine - 3-piperidinecarboxamide - Piperidinecarboxamide - Substituted pyrrole - Benzenoid - Piperidine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid hydrazide - Organoheterocyclic compound - Azacycle - Primary amine - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Carbonyl group - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO
• 分子量: 546.700 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 546.332 Da
• Monoisotopic Mass: 546.332 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 904.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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