AH3960 - Moligand™,≥99% , CAS No.862907-48-0

CAS: 862907-48-0 Cat. No.: A650765 Molecular Weight: 282.34 PubChem CID: 135508376

GRADE & PURITY Moligand™, ≥99%

Synonyms

AH-3960

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

AH3960 is a selective parathyroid hormone 1 receptor (PTHR1) agonist and also an antagonist of wild-type/T877A mutant androgen receptor (AR). AH3960 exhibits pIC50 value against wild-type PTHR1 of 4.03, the IC50 against wild-type AR of 1.5 μM, and the IC50 against T877A mutant AR of 0.35 μM. AH3960 activates the cAMP and calcium signaling pathways. AH3960 inhibits adipocyte differentiation and the expression of adipocyte markers, and promotes early differentiation of osteoblasts. AH3960 is applicable to research related to osteoporosis and prostate cancer.

Specifications

Synonyms

AH-3960

Specifications & Purity

Moligand™, ≥99%

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.

Grade

Moligand™

Action Type

AGONIST

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCCN1C(=C(C(=O)N(C1=O)CCCC)C(=N)N)O
• IUPAC Name: 1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
• InChIKey: VOYADQIFGGIKAT-UHFFFAOYSA-N
• INCHI: 1S/C13H22N4O3/c1-3-5-7-16-11(18)9(10(14)15)12(19)17(13(16)20)8-6-4-2/h18H,3-8H2,1-2H3,(H3,14,15)
• Isomeric SMILES: CCCCN1C(=C(C(=O)N(C1=O)CCCC)C(=N)N)O
• PubChem CID: 135508376
• MeSH Entry Terms: 1,3-dibutyl-5-(diaminomethylene)pyrimidine-2,4,6-trione;AH-3960;AH3960;dibutyl-diaminomethylene-pyrimidine-2,4,6-trione
• Molecular Weight: 282.34

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: Hydroxypyrimidines
• Alternative Parents: Pyrimidones Hydropyrimidines Vinylogous amides Vinylogous acids Heteroaromatic compounds Ureas Lactams Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyrimidine - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Urea - Lactam - Azacycle - Carboximidamide - Carboxylic acid amidine - Amidine - 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 hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. 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

Chemical and Physical Properties

• Molecular Weight: 282.340 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 282.169 Da
• Monoisotopic Mass: 282.169 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 445.000
• 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