Anle138b - 10mM in DMSO , CAS No.882697-00-9

CAS: 882697-00-9 Cat. No.: A426671 분자식: C₁₆H₁₁BrN₂O₂ 분자량: 343.18 EC 번호: 818-039-4

GRADE & PURITY 10mM in DMSO

Synonyms

Tox21_200409 | AC-25903 | E7WRA77JET | A858288 | Anle138b | ANLE-138b | D80685 | AKOS037649277 | Emrusolmin | BCP32558 | Emrusolmin [INN] | SCHEMBL21440048 | s6782 | 3-(1,3-dioxaindan-5-yl)-5-(3-bromophenyl)-1H-pyrazole | SCHEMBL1660250 | UNII-E7WRA77JET

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

Tox21_200409 | AC-25903 | E7WRA77JET | A858288 | Anle138b | ANLE-138b | D80685 | AKOS037649277 | Emrusolmin | BCP32558 | Emrusolmin [INN] | SCHEMBL21440048 | s6782 | 3-(1,3-dioxaindan-5-yl)-5-(3-bromophenyl)-1H-pyrazole | SCHEMBL1660250 | UNII-E7WRA77JET

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Oligomeric aggregation inhibitor. Inhibits formation of pathological prion protein (PrPSc) and α-synuclein aggregatesin vitro. Prevents accumulation of PrPScin brain and spleen, and prolongs survival of prion-infected mice. Exhibits neuroprotective effect

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

• Pubchem Sid: 528763314
• 정식 스마일: C1OC2=C(O1)C=C(C=C2)C3=CC(=NN3)C4=CC(=CC=C4)Br
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-1H-pyrazole
• InChIKey: RCQIIBJSUWYYFU-UHFFFAOYSA-N
• INCHI: 1S/C16H11BrN2O2/c17-12-3-1-2-10(6-12)13-8-14(19-18-13)11-4-5-15-16(7-11)21-9-20-15/h1-8H,9H2,(H,18,19)
• 이성체 SMILES: C1OC2=C(O1)C=C(C=C2)C3=CC(=NN3)C4=CC(=CC=C4)Br
• 분자량: 343.18
• Reaxy-Rn: 10174781
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10174781&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzodioxoles Bromobenzenes Aryl bromides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Benzodioxole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Acetal - Oxacycle - Azacycle - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole 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

관련 대상(인간)

SNCA Tchem Alpha-synuclein (1 Activities)

Discover Target: SNCA

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 343.170 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 342 Da
• Monoisotopic Mass: 342 Da
• Topological Polar Surface Area: 47.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 370.000
• 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