WIN 51708 , CAS No.144177-30-0

CAS: 144177-30-0 Cat. No.: W1431843 Formula: C₂₉H₃₃N₃O Molecular Weight: 439.6 PubChem CID: 9803245

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

WIN 51708 is a nonpeptide antagonist of neurokinin (NK)-1 receptor. WIN 51708 has a higher affinity for the rat NK-1 receptor compared to the human NK-1 receptor.

Specifications

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.

Names and Identifiers

• Canonical Smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4C3(CC5=CN6C7=CC=CC=C7N=C6N=C5C4)C
• IUPAC Name: (3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.021,26]octacosa-1(28),17,19,21,23,25-hexaen-8-ol
• InChIKey: AIIXYCDTEGICEE-HZVAOYAWSA-N
• INCHI: 1S/C29H33N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,17,19-22,33H,9-16H2,2-3H3/t19-,20+,21-,22-,27-,28-,29-/m0/s1
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(CC5=CN6C7=CC=CC=C7N=C6N=C5C4)C
• Alternate CAS: 144177-30-0
• PubChem CID: 9803245
• MeSH Entry Terms: 17-hydroxy-17-ethynyl-5alpha-androstano(3,2-b)pyrimido(1,2-a)benzimidazole;WIN 51708;WIN-51708
• Molecular Weight: 439.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Estrane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Estrane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Estrane steroids
• Alternative Parents: 17-hydroxysteroids Quinazolines Benzimidazoles Imidazo[1,2-a]pyrimidines N-substituted imidazoles Ynones Benzenoids Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Tertiary alcohols Cyclic alcohols and derivatives Acetylides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Estrane-skeleton - Hydroxysteroid - 17-hydroxysteroid - Diazanaphthalene - Quinazoline - Benzimidazole - Imidazo[1,2-a]pyrimidine - N-substituted imidazole - Pyrimidine - Ynone - Benzenoid - Azole - Cyclic alcohol - Imidazole - Heteroaromatic compound - Tertiary alcohol - Acetylide - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
• 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

Frequently Asked Questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 144177-30-0, the molecular formula is C29H33N3O, and the molecular weight is 439.6 g/mol. InChIKey AIIXYCDTEGICEE-HZVAOYAWSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.