U-75302 - Moligand™, ≥95%, 500μg/ml in ethanol , Antagonist of BLT 1 receptor, CAS No.119477-85-9, Antagonist of BLT 1 receptor

CAS: 119477-85-9 Cat. No.: U275240 Molecular Weight: 361.5 EC Number: 634-249-7

GRADE & PURITY Moligand™, ≥95%, 500μg/ml in ethanol

Synonyms

U 75302 | SCHEMBL1894359 | 1,5-Hexanediol, 6-(6-(3-hydroxy-1,5-undecadienyl)-2-pyridinyl)-, (R-(R*,S*-(E,Z)))- | Q27089045 | DTXSID401017101 | 6-(6-(3-Hydroxy-1,5-undecadien-1-yl)-2-pyridinyl)-1,5-hexanediol | AKOS040749691 | SR-01000946976 | HY-105484 |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

U 75302 | SCHEMBL1894359 | 1, 5-Hexanediol, 6-(6-(3-hydroxy-1, 5-undecadienyl)-2-pyridinyl)-, (R-(R*, S*-(E, Z)))- | Q27089045 | DTXSID401017101 | 6-(6-(3-Hydroxy-1, 5-undecadien-1-yl)-2-pyridinyl)-1, 5-hexanediol | AKOS040749691 | SR-01000946976 | HY-105484 |

Specifications & Purity

Moligand™, ≥95%, 500μg/ml in ethanol

Biochemical and Physiological Mechanisms

Selective leukotriene B 4 BLT 1 receptor antagonist (IC 50 = 1.5 μM). Active in vitro and in vivo . Inhibits innate immune response and augments the leukocyte antiadesive effect of aspirin.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of BLT 1 receptor

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

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCC=CCC(C=CC1=CC=CC(=N1)CC(CCCCO)O)O
• IUPAC Name: (5S)-6-[6-[(1E,3R,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol
• InChIKey: JNBOAUIJLDEICX-LJCAKPRGSA-N
• INCHI: 1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m1/s1
• Isomeric SMILES: CCCCC/C=C\C[C@H](/C=C/C1=CC=CC(=N1)C[C@H](CCCCO)O)O
• Molecular Weight: 361.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Secondary alcohols Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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(Human)

LTB4R Tchem Leukotriene B4 receptor 1 (1 Activities)

Discover Target: LTB4R

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 25 mM
• Flash Point(°F): 55.4 °F
• Flash Point(°C): 13 °C
• Boil Point(°C): 78 °C (172.4 °F)
• Molecular Weight: 361.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 361.262 Da
• Monoisotopic Mass: 361.262 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 384.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1