Guaiazulene - 10mM in DMSO , CAS No.489-84-9

CAS: 489-84-9 Cat. No.: G424243 분자식: C₁₅H₁₈ 분자량: 198.31 Beilstein Registry Number: 5(2)473 EC 번호: 207-701-2

GRADE & PURITY 10mM in DMSO

Synonyms

Azulene,4-dimethyl- | GUAIAZULENE [WHO-DD] | S-Guaiazulene | 1,4-Dimethyl-7-(1-methylethyl)azulene | 1,4-dimethyl-7-(1-methylethyl)-azulene | UNII-2OZ1K9JKQC | 1,4-Dimethyl-7-(1-methyl)-azulene (azulon) | STK801958 | AZ-8 beris | Azulene, 7-isopropyl-1,4-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

Azulene,4-dimethyl- | GUAIAZULENE [WHO-DD] | S-Guaiazulene | 1,4-Dimethyl-7-(1-methylethyl)azulene | 1,4-dimethyl-7-(1-methylethyl)-azulene | UNII-2OZ1K9JKQC | 1,4-Dimethyl-7-(1-methyl)-azulene (azulon) | STK801958 | AZ-8 beris | Azulene, 7-isopropyl-1,4-

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528771864
• 정식 스마일: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
• IUPAC Name: 1,4-dimethyl-7-propan-2-ylazulene
• InChIKey: FWKQNCXZGNBPFD-UHFFFAOYSA-N
• INCHI: 1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
• 이성체 SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
• WGK 독일: 3
• RTECS: CO4790000
• 분자량: 198.31
• Beilstein: 5(2)473
• Reaxy-Rn: 1365001
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1365001&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Guaianes
• Alternative Parents: Azulenes Aromatic hydrocarbons Polycyclic hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Guaiane sesquiterpenoid - Azulene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.
• External Descriptors: Guaiane sesquiterpenoids

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)

U2OS (164939 Activities)

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

LMNA Tbio Prelamin-A/C (36751 Activities)

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

GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 발화점(°F): 230°F
• 발화점(°C): >110℃
• 끓는점(°C): 153 °C/7 mmHg
• 녹는점(°C): 27-29°C
• 분자량: 198.300 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 198.141 Da
• Monoisotopic Mass: 198.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 206.000
• 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. Chen Pohua, Liu Yang, Zhang Chaochao, Huang Fei, Liu Leifeng, Sun Junliang.  (2022)  Crystalline Sponge Method by Three-Dimensional Electron Diffraction.  Frontiers in Molecular Biosciences,      [PMID:35198600] [10.3389/fmolb.2021.821927]

2. Ye Qin, Zhou Li, Jin Ping, Li Lei, Zheng Shuwen, Huang Zhao, Liu Jiayang, Qin Siyuan, Liu Hao, Zou Bingwen, Xie Ke.  (2021)  Guaiazulene Triggers ROS-Induced Apoptosis and Protective Autophagy in Non-small Cell Lung Cancer.  Frontiers in Pharmacology,      [PMID:33935713] [10.3389/fphar.2021.621181]

3. Yan Yang, Siying Liu, Yan Wang, Qin Yang, Baoan Wang, Yuting Zhang, Zaikang Tong, Junhong Zhang.  (2025)  Antifungal mechanisms of Phoebe bournei wood essential oil against Botryosphaeria dothidea and its application in apples.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2025.113703]