LY 231617 - ≥98% , CAS No.141545-89-3

CAS: 141545-89-3 Cat. No.: L288023 분자식: C₁₇H₂₉NO•HCl 분자량: 299.88

등급 & 순도 ≥98%

Synonyms

J-007513 | ly 231617 | MFCD00919199 | F82143 | 2,6-bis(1,1-Dimethylethyl)-4-[(ethylamino)methyl]phenol hydrochloride | DTXSID30161759 | HY-103253 | SCHEMBL8843543 | 2,6-DI-TERT-BUTYL-4-[(ETHYLAMINO)METHYL]PHENOL HYDROCHLORIDE | MS-24317 | LY231617 | 2,6-d

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

product description：

Antioxidant 

application：

Y 231617 is an antioxidant and is able to prevent ischaemia-induced neurodegeneration. LY 231617 is a neuroprotective and an anti-ischaemic agent.

사양

동의어

J-007513 | ly 231617 | MFCD00919199 | F82143 | 2,6-bis(1,1-Dimethylethyl)-4-[(ethylamino)methyl]phenol hydrochloride | DTXSID30161759 | HY-103253 | SCHEMBL8843543 | 2,6-DI-TERT-BUTYL-4-[(ETHYLAMINO)METHYL]PHENOL HYDROCHLORIDE | MS-24317 | LY231617 | 2,6-d

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Antioxidant; protects against ischemia-induced neuronal damage in rat models of global and focal cerebral ischemia. Neuroprotectivein vitroandin vivo.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

정식 스마일

CCNCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.Cl

IUPAC Name

2,6-ditert-butyl-4-(ethylaminomethyl)phenol;hydrochloride

InChIKey

SIWZKGFBUXQFDK-UHFFFAOYSA-N

INCHI

1S/C17H29NO.ClH/c1-8-18-11-12-9-13(16(2,3)4)15(19)14(10-12)17(5,6)7;/h9-10,18-19H,8,11H2,1-7H3;1H

이성체 SMILES

CCNCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.Cl

분자량

299.88

Reaxy-Rn

7448094

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7448094&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Phenylmethylamines Benzylamines Phenols Aralkylamines Dialkylamines Organopnictogen compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Benzylamine - Phenylmethylamine - Phenol - Aralkylamine - Secondary aliphatic amine - Secondary amine - Amine - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 29.99, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 29.99, Max Conc. mM: 100
• 분자량: 299.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 299.202 Da
• Monoisotopic Mass: 299.202 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 250.000
• 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: 2

XLogP3

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 141545-89-3, the molecular formula is C17H29NO?HCl, and the molecular weight is 299.88 g/mol. InChIKey SIWZKGFBUXQFDK-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.