JNJ-10229570 - 10mM in DMSO , CAS No.524923-88-4

CAS: 524923-88-4 Cat. No.: J424503 Molecular Weight: 389.5

GRADE & PURITY 10mM in DMSO

Synonyms

A16876 | SCHEMBL13125067 | JNJ-10229570 | MS-26484 | SCHEMBL11986859 | AKOS040758757 | BCP30848 | SCHEMBL692139 | Z3041534482 | JNJ 10229570 | SY325767 | UNII-N9IX402L35 | 2,3-Bis(2-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5(2H)-imine | EX-A3709 | N16878

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

JNJ-10229570 JNJ-10229570 (UNII-N9IX402L35) is an antagonist of melanocortin receptor 1 (MC1R) and melanocortin receptor 5 (MC5R). JNJ-10229570 inhibits sebaceous gland differentiation and the production of sebum-specific lipids. JNJ-10229570 inhibits the binding of 125I-NDP-α-MSH to cells expressing human MC1R and MC5R with IC50 of 270 nM and 200 nM, respectively.

Specifications

Synonyms

A16876 | SCHEMBL13125067 | JNJ-10229570 | MS-26484 | SCHEMBL11986859 | AKOS040758757 | BCP30848 | SCHEMBL692139 | Z3041534482 | JNJ 10229570 | SY325767 | UNII-N9IX402L35 | 2, 3-Bis(2-methoxyphenyl)-N-phenyl-1, 2, 4-thiadiazol-5(2H)-imine | EX-A3709 | N16878

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

JNJ-10229570 (UNII-N9IX402L35) is an antagonist of melanocortin receptor 1 (MC1R) and melanocortin receptor 5 (MC5R). JNJ-10229570 inhibits sebaceous gland differentiation and the production of sebum-specific lipids. JNJ-10229570 inhibits the binding of 1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

ANTAGONIST

Names and Identifiers

• Canonical Smiles: COC1=CC=CC=C1C2=NC(=NC3=CC=CC=C3)SN2C4=CC=CC=C4OC
• IUPAC Name: 2,3-bis(2-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-imine
• InChIKey: XTHRTBCPBWJYRO-UHFFFAOYSA-N
• INCHI: 1S/C22H19N3O2S/c1-26-19-14-8-6-12-17(19)21-24-22(23-16-10-4-3-5-11-16)28-25(21)18-13-7-9-15-20(18)27-2/h3-15H,1-2H3
• Isomeric SMILES: COC1=CC=CC=C1C2=NC(=NC3=CC=CC=C3)SN2C4=CC=CC=C4OC
• Molecular Weight: 389.5
• Reaxy-Rn: 14630142
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14630142&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiadiazole - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy 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

• Molecular Weight: 389.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 389.12 Da
• Monoisotopic Mass: 389.12 Da
• Topological Polar Surface Area: 71.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 576.000
• 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