4-Hydroxyindole - ≥98% , CAS No.2380-94-1

CAS: 2380-94-1 Cat. No.: H105121 분자식: C₈H₇NO 분자량: 133.15 Beilstein Registry Number: 114905 EC 번호: 219-177-2

GRADE & PURITY ≥98%

Synonyms

STK802156 | PS-3280 | Z1203730747 | 4-Indolol | NCGC00253639-01 | UNII-1W4VD9085V | EINECS 219-177-2 | 4-HYDROXYINDOLE [USP-RS] | 82CYO8A460 | Indol-4-ol | SR-01000944737-1 | AC-5462 | AM20060360 | SY001960 | 4-Hydroxyindole, 99% | CCG-214548 | SR-0100094

Storage

Argon charged,Room temperature

Shipped In

Normal

개요

· Reactant for preparation of N-β-D-xylosyl-indole derivatives as SGLT2 inhibitors for management of hyperglycemia in diabetes · Reactant for preparation of small molecules targeting interaction between HIV-1 integrase and LEDGF/p75 cofactor · Reactant for preparation of dopamine D2 receptor antagonists · Reactant for preparation of SCD inhibitor MF-438 · Reactant for preparation of carbon-11-labeled 4-aryl-4H-chromenes as new PET agents for imaging of apoptosis in cancer · Reactant for preparation of indole/quinoline carbothioic acid amide derivatives as HCV inhibitors

Specifications

동의어

STK802156 | PS-3280 | Z1203730747 | 4-Indolol | NCGC00253639-01 | UNII-1W4VD9085V | EINECS 219-177-2 | 4-HYDROXYINDOLE [USP-RS] | 82CYO8A460 | Indol-4-ol | SR-01000944737-1 | AC-5462 | AM20060360 | SY001960 | 4-Hydroxyindole, 99% | CCG-214548 | SR-0100094

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488185099
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185099
• 정식 스마일: C1=CC2=C(C=CN2)C(=C1)O
• IUPAC Name: 1H-indol-4-ol
• InChIKey: NLMQHXUGJIAKTH-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H
• 이성체 SMILES: C1=CC2=C(C=CN2)C(=C1)O
• WGK 독일: 3
• 분자량: 133.15
• Beilstein: 114905
• Reaxy-Rn: 114905
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114905&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• External Descriptors: phenols - hydroxyindoles

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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: air sensitive
• 녹는점(°C): 99°C
• 분자량: 133.150 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.053 Da
• Monoisotopic Mass: 133.053 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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

참고 문헌

1. Longfei Zhang, Li Yang, Yewei Xu, Guanjun Chang.  (2019)  Renewable 4-HIF/NaOH aerogel for efficient methylene blue removal via cation–π interaction induced electrostatic interaction.  RSC Advances,  9  (51): (29772-29778).  [PMID:35531533] [10.1039/C9RA04166D]