LY 272015 hydrochloride - ≥99% , CAS No.172895-15-7

CAS: 172895-15-7 Cat. No.: L275101 Molecular Weight: 372.89

GRADE & PURITY ≥99%

Synonyms

1H-Pyrido(3,4-b)indole, 1-((3,4-dimethoxyphenyl)methyl)-2,3,4,9-tetrahydro-6-methyl-, monohydrochloride | J-010860 | 1-[(3,4-Dimethoxyphenyl)methy]-2,3, 4,9-tetrahydro-6-methyl-1H-pyrido[3,4-b]indole hydrochloride | LY-272,015 | LY272015 | AKOS024457413 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

LY-272015 hydrochloride is an orally active, specific 5-HT2B receptor antagonist. LY-272015 hydrochloride completely inhibits 5-HT or BW723C86-induced ERK2 phosphorylation. LY-272015 hydrochloride has antihypertensive effects in deoxycorticosterone acetate (DOCA) -salt hypertensive rats

Specifications

Synonyms

1H-Pyrido(3, 4-b)indole, 1-((3, 4-dimethoxyphenyl)methyl)-2, 3, 4, 9-tetrahydro-6-methyl-, monohydrochloride | J-010860 | 1-[(3, 4-Dimethoxyphenyl)methy]-2, 3, 4, 9-tetrahydro-6-methyl-1H-pyrido[3, 4-b]indole hydrochloride | LY-272, 015 | LY272015 | AKOS024457413 |

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Highly potent, selective 5-HT 2B receptor antagonist (K i values are 0.75, 21.63 and 28.7 nM for 5-HT 2B , 5-HT 2C and 5-HT 2A receptors, respectively). Displays antihypertensive activity in vivo .LY272015 is a high-affinity, 5-HT2B subtype-selective sero

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

ANTAGONIST

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC.Cl
• IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
• InChIKey: BKAZOTIBKRWLQA-UHFFFAOYSA-N
• INCHI: 1S/C21H24N2O2.ClH/c1-13-4-6-17-16(10-13)15-8-9-22-18(21(15)23-17)11-14-5-7-19(24-2)20(12-14)25-3;/h4-7,10,12,18,22-23H,8-9,11H2,1-3H3;1H
• Isomeric SMILES: CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC.Cl
• Molecular Weight: 372.89
• Reaxy-Rn: 7558792
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7558792&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Harmala alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Harmala alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Harmala alkaloids
• Alternative Parents: Beta carbolines Dimethoxybenzenes 3-alkylindoles Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Harman - Beta-carboline - Pyridoindole - O-dimethoxybenzene - Dimethoxybenzene - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
• 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

Chemical and Physical Properties

• Solubility: <37.29mg/ml in DMSO；insoluble in ethanol
• Molecular Weight: 372.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 372.16 Da
• Monoisotopic Mass: 372.16 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 446.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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