LY-3475070 - ≥99% , CAS No.2375815-63-5

CAS: 2375815-63-5 Cat. No.: L414499 Molecular Weight: 286.33

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

LY-3475070 LY-3475070 is a potent, selective and orally bioavailable inhibitor of the ectoenzyme CD73 (cluster of differentiation 73, 5'-ecto-nucleotidase, 5'-NT, ecto-5'-nucleotidase) .

Targets

CD73

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

LY-3475070 is a potent, selective and orally bioavailable inhibitor of the ectoenzyme CD73 (cluster of differentiation 73, 5'-ecto-nucleotidase, 5'-NT, ecto-5'-nucleotidase).

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

≥99%

Names and Identifiers

• Pubchem Sid: 504773639
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773639
• Canonical Smiles: CC1=NN=C(C=C1C2CC2C(C)C)C3=CNC(=O)NC3=O
• IUPAC Name: 5-[6-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
• InChIKey: WHRUIISQCORGKK-KOLCDFICSA-N
• INCHI: 1S/C15H18N4O2/c1-7(2)9-4-11(9)10-5-13(19-18-8(10)3)12-6-16-15(21)17-14(12)20/h5-7,9,11H,4H2,1-3H3,(H2,16,17,20,21)/t9-,11+/m1/s1
• Isomeric SMILES: CC1=NN=C(C=C1[C@H]2C[C@@H]2C(C)C)C3=CNC(=O)NC3=O
• Molecular Weight: 286.33
• Reaxy-Rn: 39707381
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39707381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Pyridazines and derivatives N-acyl amines Hydropyrimidines Vinylogous amides Heteroaromatic compounds Dicarboximides Organic carbonic acids and derivatives Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Pyridazine - N-acyl-amine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Dicarboximide - Carbonic acid derivative - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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)

NT5E Tchem 5'-nucleotidase (11 Activities)

Discover Target: NT5E

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 57 mg/mL (199.07 mM); Ethanol: 10 mg/mL (34.92 mM); Water: Insoluble
• Molecular Weight: 286.330 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 286.143 Da
• Monoisotopic Mass: 286.143 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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