LRE1 - Moligand™,≥98% , Inhibitor of adenylyl cyclase 10, CAS No.1252362-53-0, Inhibitor of adenylyl cyclase 10

CAS: 1252362-53-0 Cat. No.: L611587 分子式: C₁₂H₁₃ClN₄S 分子量: 280.78 PubChem CID: 47279808

GRADE & PURITY Moligand™, ≥98%

Synonyms

RU-0204277 | 6-Chloro-N4-cyclopropyl-N4-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

LRE1 is a specific and allosteric inhibitor of soluble adenylyl cyclase.

Specifications

同義語

RU-0204277 | 6-Chloro-N4-cyclopropyl-N4-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

LRE1 is a selective allosteric inhibitor of soluble adenylyl cyclase (sAC), a ubiquitously expressed, essential component of cAMP-signaling. In contrast to G-protein-regulated transmembrane adenylyl cyclase, soluble adenylyl cyclase is directly activated

保管条件

Protected from light,Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of adenylyl cyclase 10

純度

≥98%

名前と識別子

パブケム・シド

528765302

カノニカル・スマイル

C1CC1N(CC2=CC=CS2)C3=CC(=NC(=N3)N)Cl

IUPAC Name

6-chloro-4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

InChIKey

PDWZXKSZLRVSEH-UHFFFAOYSA-N

INCHI

1S/C12H13ClN4S/c13-10-6-11(16-12(14)15-10)17(8-3-4-8)7-9-2-1-5-18-9/h1-2,5-6,8H,3-4,7H2,(H2,14,15,16)

異性体SMILES

C1CC1N(CC2=CC=CS2)C3=CC(=NC(=N3)N)Cl

PubChem CID

47279808

分子量

280.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Halopyrimidines Aminopyrimidines and derivatives Imidolactams Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Imidolactam - Pyrimidine - Aryl halide - Aryl chloride - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Primary amine - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

関連ターゲット（人間）

ADCY10 Tchem Adenylate cyclase type 10 (1 Activities)

Discover Target: ADCY10

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

作用メカニズム

化学的性質と物理的性質

• 感度: light sensitive
• 分子量: 280.780 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 280.055 Da
• Monoisotopic Mass: 280.055 Da
• Topological Polar Surface Area: 83.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 289.000
• 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