BI-749327 - Moligand™, ≥98% , Channel blocker of TRPC6;Channel blocker of TRPC7, CAS No.2361241-23-6, Channel blocker of TRPC6;Channel blocker of TRPC7

CAS: 2361241-23-6 Cat. No.: B413431 분자식: C₂₃H₂₁F₃N₄O₂ 분자량: 442.43

GRADE & PURITY Moligand™, ≥98%

Synonyms

(4-(6-Aminopyridazin-3-yl)piperidin-1-yl)(4-(4-(trifluoromethyl)phenoxy)phenyl)methanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

(4-(6-Aminopyridazin-3-yl)piperidin-1-yl)(4-(4-(trifluoromethyl)phenoxy)phenyl)methanone

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

BI-749327 is a potent, high selectivity TRPC6 antagonist, with IC50s of 13 nM, 19 nM and 15 nM for mouse, human and guinea pig TRPC6, respectively. BI-749327 is 85-fold more selective for mouse TRPC6 than TRPC3 and 42-fold versus TRPC7.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

CHANNEL BLOCKER

작동 메커니즘

Channel blocker of TRPC6;Channel blocker of TRPC7

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528763435
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528763435
• 정식 스마일: C1CN(CCC1C2=NN=C(C=C2)N)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(F)(F)F
• IUPAC Name: [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-[4-(trifluoromethyl)phenoxy]phenyl]methanone
• InChIKey: RGYMFGHHIDRCBN-UHFFFAOYSA-N
• INCHI: 1S/C23H21F3N4O2/c24-23(25,26)17-3-7-19(8-4-17)32-18-5-1-16(2-6-18)22(31)30-13-11-15(12-14-30)20-9-10-21(27)29-28-20/h1-10,15H,11-14H2,(H2,27,29)
• 분자량: 442.43
• Reaxy-Rn: 34511808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34511808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzoylpiperidines
• Alternative Parents: N-benzoylpiperidines Diphenylethers Trifluoromethylbenzenes Benzamides Phenol ethers Pyridazines and derivatives N-acyl amines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Ethers Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-benzoylpiperidine - N-benzoylpiperidine - Diphenylether - Trifluoromethylbenzene - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - Phenol ether - Imidolactam - Pyridazine - Piperidine - N-acyl-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl 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)

TRPC6 Tchem Short transient receptor potential channel 6 (0 Activities)

Discover Target: TRPC6

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

TRPC7 Tchem Short transient receptor potential channel 7 (0 Activities)

Discover Target: TRPC7

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

화학 및 물리적 특성

• 분자량: 442.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 442.162 Da
• Monoisotopic Mass: 442.162 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 611.000
• 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