SENS-111 - Moligand™ , Antagonist of H 4 receptor, CAS No.1164115-89-2, Antagonist of H 4 receptor

CAS: 1164115-89-2 Cat. No.: S613533 PubChem CID: 44126305

GRADE & PURITY Moligand™

Synonyms

Seliforant | 4-Pyrimidinamine, 6-(3-(methylamino)-1-azetidinyl)-2-(2-methylpropyl)- | SCHEMBL605477 | Seliforant [INN] | SELIFORANT [WHO-DD] | HY-109074 | UNII-B61N8R7TDH | 6-[3-(methylamino)azetidin-1-yl]-2-(2-methylpropyl)pyrimidin-4-amine | B61N8R7TDH

Storage

Room temperature

Specifications

동의어

Seliforant | 4-Pyrimidinamine, 6-(3-(methylamino)-1-azetidinyl)-2-(2-methylpropyl)- | SCHEMBL605477 | Seliforant [INN] | SELIFORANT [WHO-DD] | HY-109074 | UNII-B61N8R7TDH | 6-[3-(methylamino)azetidin-1-yl]-2-(2-methylpropyl)pyrimidin-4-amine | B61N8R7TDH

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of H 4 receptor

이름과 식별자

정식 스마일

CNC1CN(C1)c1cc(N)nc(n1)CC(C)C

IUPAC Name

6-[3-(methylamino)azetidin-1-yl]-2-(2-methylpropyl)pyrimidin-4-amine

InChIKey

QRBVUFXEMHNIDB-UHFFFAOYSA-N

INCHI

1S/C12H21N5/c1-8(2)4-11-15-10(13)5-12(16-11)17-6-9(7-17)14-3/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)

이성체 SMILES

CC(C)CC1=NC(=CC(=N1)N2CC(C2)NC)N

PubChem CID

44126305

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Azetidines Dialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Azetidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Primary amine - Aromatic heteromonocyclic compound
• 설명: 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

관련 대상(인간)

HRH4 Tchem Histamine H4 receptor (0 Activities)

Discover Target: HRH4

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

화학 및 물리적 특성

• 분자량: 235.330 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 235.18 Da
• Monoisotopic Mass: 235.18 Da
• Topological Polar Surface Area: 67.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 239.000
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1164115-89-2. InChIKey QRBVUFXEMHNIDB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.