Menbutone - ≥98% , CAS No.3562-99-0

CAS: 3562-99-0 Cat. No.: M413193 분자식: C₁₅H₁₄O₄ 분자량: 258.28 EC 번호: 222-631-2

GRADE & PURITY ≥98%

Synonyms

Oprea1_763160 | HY-B1136 | Menbutone [INN:BAN] | UNII-341YM32546 | NCGC00160573-01 | SC 1749 [as sodium salt] | AMY15531 | Methonaphthone | NSC53969 | NSC-53969 | SMR002530297 | AKOS005893935 | Eugenyl methyl ether | Menbutone (INN) | Fel-Bis | SC-1749 FR

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

Menbutone (Genabilin, Naftobil, Genabilic acid), or genabilic acid, is a derivative of oxybutyric acid which acts as a choleretic stimulating secretion, a trypsinogen and a pepsinogen.

Specifications

동의어

Oprea1_763160 | HY-B1136 | Menbutone [INN:BAN] | UNII-341YM32546 | NCGC00160573-01 | SC 1749 [as sodium salt] | AMY15531 | Methonaphthone | NSC53969 | NSC-53969 | SMR002530297 | AKOS005893935 | Eugenyl methyl ether | Menbutone (INN) | Fel-Bis | SC-1749 FR

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Menbutone (Genabilin, Naftobil, Genabilic acid), or genabilic acid, is a derivative of oxybutyric acid which acts as a choleretic stimulating secretion, a trypsinogen and a pepsinogen.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504754639
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754639
• 정식 스마일: COC1=CC=C(C2=CC=CC=C21)C(=O)CCC(=O)O
• IUPAC Name: 4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
• InChIKey: FHGJSJFIQNQBCK-UHFFFAOYSA-N
• INCHI: 1S/C15H14O4/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H,17,18)
• 이성체 SMILES: COC1=CC=C(C2=CC=CC=C21)C(=O)CCC(=O)O
• 분자량: 258.28
• Reaxy-Rn: 3059815
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3059815&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Butyrophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butyrophenones
• Alternative Parents: Naphthalenes Gamma-keto acids and derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Butyrophenone - Naphthalene - Anisole - Aryl alkyl ketone - Aryl ketone - Gamma-keto acid - Alkyl aryl ether - Keto acid - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one 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

관련 대상(인간)

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 258.269 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 258.089 Da
• Monoisotopic Mass: 258.089 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 339.000
• 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