15-Lipoxygenase Inhibitor I - ≥98% , CAS No.928853-86-5

CAS: 928853-86-5 Cat. No.: L334436 Molecular Weight: 313.4

GRADE & PURITY ≥98%

Synonyms

PD020194 | DTXSID90658993 | 4-methyl-2-(4-methylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine | MS-24593 | 4-Methyl-2-(4-methylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]benzothiazine | HYPHGMNLWIKEMB-UHFFFAOYSA-N | 4-Methyl-2-(4-methylpiperazinyl)pyrimido

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

4-MMPB is a selective inhibitor of 15-lipoxygenase, with an IC50 of 18 μM. 4-MMPB has IC50s of 19.5 μM and 19.1 μM for soybean 15-lipoxygenase (SLO) and human 15-lipoxygenase-1 (15-LOX-1), respectively. 4-MMPB has potential for the research of prostate cancer。

Specifications

Synonyms

PD020194 | DTXSID90658993 | 4-methyl-2-(4-methylpiperazin-1-yl)pyrimido[4, 5-b][1, 4]benzothiazine | MS-24593 | 4-Methyl-2-(4-methylpiperazin-1-yl)-5H-pyrimido[4, 5-b][1, 4]benzothiazine | HYPHGMNLWIKEMB-UHFFFAOYSA-N | 4-Methyl-2-(4-methylpiperazinyl)pyrimido

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770343
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770343
• Canonical Smiles: CC1=C2C(=NC(=N1)N3CCN(CC3)C)SC4=CC=CC=C4N2
• IUPAC Name: 4-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]benzothiazine
• InChIKey: HYPHGMNLWIKEMB-UHFFFAOYSA-N
• INCHI: 1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3
• Isomeric SMILES: CC1=C2C(=NC(=N1)N3CCN(CC3)C)SC4=CC=CC=C4N2
• UN Number: 1888
• Packing Group: III
• Molecular Weight: 313.4
• Reaxy-Rn: 11051019
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11051019&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Diarylthioethers Benzothiazines Dialkylarylamines N-methylpiperazines Aminopyrimidines and derivatives Primary aromatic amines Benzenoids 1,4-thiazines Heteroaromatic compounds Trialkylamines Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Diarylthioether - Benzothiazine - Aryl thioether - Dialkylarylamine - Aminopyrimidine - N-methylpiperazine - N-alkylpiperazine - Para-thiazine - Primary aromatic amine - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Thioether - Secondary amine - Azacycle - Organic nitrogen compound - Amine - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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

Associated Targets(non-human)

LOX1.1 Seed lipoxygenase-1 (463 Activities)

Discover Target: LOX1.1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 7.69 mg/mL (24.54 mM; Need ultrasonic)
• Molecular Weight: 313.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 313.136 Da
• Monoisotopic Mass: 313.136 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 387.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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