Anamorelin - 10mM in DMSO , CAS No.249921-19-5

CAS: 249921-19-5 Cat. No.: A422861 分子式: C₃₁H₄₂N₆O₃ 分子量: 546.7 EC番号: 111-195-8

GRADE & PURITY 10mM in DMSO

Synonyms

RC-1291 | CCG-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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Anamorelin(RC1291; ONO-7643) is a synthetic orally active ghrelin receptor agonist which is under development for the management of non-small lung cancer associated cachexia/anorexia.

Specifications

同義語

RC-1291 | CCG-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

10mM in DMSO

生化学的・生理学的メカニズム

Anamorelin hydrochloride is the orally bioavailable hydrochloride salt of a synthetic, small-molecule ghrelin mimetic with appetite-stimulating and anabolic activities. Anamorelin binds to and stimulates the growth hormone secretagogue re

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

アクションタイプ

AGONIST

名前と識別子

• パブケム・シド: 528763310
• 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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

作用メカニズム

化学的性質と物理的性質

• 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