CD 1530 - ≥98%(HPLC) , CAS No.107430-66-0

CAS: 107430-66-0 Cat. No.: C288386 Molecular Weight: 398.49 EC Number: 110-854-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

CD1530 | CD-1530 | 4-(7-((3r,5r,7r)-adamantan-1-yl)-6-hydroxynaphthalen-2-yl)benzoic acid | CD 1530 | HY-108527 | CD1530, >=98% (HPLC) | DTXSID60433279 | MS-26744 | BCP28865 | SCHEMBL20759771 | AKOS040744906 | 4-[7-(1-adamantyl)-6-hydroxynaphthalen-2-yl]b

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

CD1530 | CD-1530 | 4-(7-((3r, 5r, 7r)-adamantan-1-yl)-6-hydroxynaphthalen-2-yl)benzoic acid | CD 1530 | HY-108527 | CD1530, >=98% (HPLC) | DTXSID60433279 | MS-26744 | BCP28865 | SCHEMBL20759771 | AKOS040744906 | 4-[7-(1-adamantyl)-6-hydroxynaphthalen-2-yl]b

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective RARγreceptor agonist (Kivalues are 150, 1500 and 2750 nM for RARγ, RARβand RARαreceptors respectively). Activates transcriptional activity (AC50= 1.8 nM).

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

AGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC=C(C=C6)C(=O)O)O
• IUPAC Name: 4-[7-(1-adamantyl)-6-hydroxynaphthalen-2-yl]benzoic acid
• InChIKey: VCQGNUWOMLYNNG-UHFFFAOYSA-N
• INCHI: 1S/C27H26O3/c28-25-12-22-6-5-21(19-1-3-20(4-2-19)26(29)30)10-23(22)11-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC=C(C=C6)C(=O)O)O
• Molecular Weight: 398.49
• Reaxy-Rn: 13850207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13850207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Cyclohexylphenols Naphthols and derivatives Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylnaphthalene - Cyclohexylphenol - 2-naphthol - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 39.84, Max Conc. mM: 100
• Molecular Weight: 398.500 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 398.188 Da
• Monoisotopic Mass: 398.188 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 622.000
• 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