Dihydroergocristine mesylate - ≥99% , CAS No.24730-10-7

CAS: 24730-10-7 Cat. No.: D1445001 Molecular Weight: 707.8 EC Number: 246-434-6 PubChem CID: 444034

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Dihydroergocristine mesylate (DHEC mesylate) is a inhibitor of γ-secretase ( GSI ), reduces the production of the Alzheimer's disease amyloid-β peptides , binds directly to γ-secretase and Nicastrin with equilibrium dissociation constants ( K d ) of 25.7 nM and 9.8 μM, respectively.

Specifications

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
• IUPAC Name: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
• InChIKey: SPXACGZWWVIDGR-SPZWACKZSA-N
• INCHI: 1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1
• Isomeric SMILES: CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
• PubChem CID: 444034
• Molecular Weight: 707.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Ergoline and derivatives
      • Subclass Lysergic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Ergoline and derivatives
• Subclass: Lysergic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lysergamides
• Alternative Parents: Indoloquinolines Benzoquinolines Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles Isoindoles and derivatives Piperidinecarboxamides Aralkylamines N-alkylpiperazines Benzene and substituted derivatives Oxazolidinones Organosulfonic acids Tertiary carboxylic acid amides Alkanesulfonic acids Methanesulfonates Pyrroles Pyrrolidines Sulfonyls Heteroaromatic compounds Orthocarboxylic acid derivatives Trialkylamines Lactams Oxacyclic compounds Alkanolamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Lysergic acid amide - Indoloquinoline - Benzoquinoline - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - 3-piperidinecarboxamide - Piperidinecarboxamide - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Oxazolidinone - Piperazine - Monocyclic benzene moiety - Piperidine - Benzenoid - Methanesulfonate - Alkanesulfonic acid - Oxazolidine - Tertiary carboxylic acid amide - Sulfonyl - Pyrrole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Pyrrolidine - Lactam - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Orthocarboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Alkanolamine - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as lysergamides. These are amides of Lysergic acids.
• External Descriptors: methanesulfonate salt

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