12-Hydroxydodecanoic acid - Moligand™, 10mM in DMSO , CAS No.505-95-3

CAS: 505-95-3 Cat. No.: H424355 Summenformel: C₁₂H₂₄O₃ Molekulargewicht: 216.32 Beilstein Registry Number: 1238370 EG-Nummer: 208-025-0

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

2-(Methylsulfanyl)-10H-phenothiazine | Acetonitrile, (phenylsulfonyl)- | omega hydroxy dodecanoate | O10368 | omega-hydroxy dodecanoic acid | 12-HYDROXYDODECANOICACID | MFCD00009236 | UNII-SUH3LR2K9D | BCP29357 | NSC664211 | NSC-664211 | 5-Hydroxy-2-methy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

2-(Methylsulfanyl)-10H-phenothiazine | Acetonitrile, (phenylsulfonyl)- | omega hydroxy dodecanoate | O10368 | omega-hydroxy dodecanoic acid | 12-HYDROXYDODECANOICACID | MFCD00009236 | UNII-SUH3LR2K9D | BCP29357 | NSC664211 | NSC-664211 | 5-Hydroxy-2-methy

Spezifikationen & Reinheit

Moligand™, 10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Namen und Kennungen

• Pubchem Sid: 528754858
• Kanonisches Lächeln: C(CCCCCC(=O)O)CCCCCO
• IUPAC Name: 12-hydroxydodecanoic acid
• InChIKey: ZDHCZVWCTKTBRY-UHFFFAOYSA-N
• INCHI: 1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
• Isomere SMILES: C(CCCCCC(=O)O)CCCCCO
• WGK Deutschland: 3
• Molekulargewicht: 216.32
• Beilstein: 1238370
• Reaxy-Rn: 1238370
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238370&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Hydroxy acids and derivatives
      • Subclass Medium-chain hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Hydroxy acids and derivatives
• Subclass: Medium-chain hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain hydroxy acids and derivatives
• Alternative Parents: Medium-chain fatty acids Hydroxy fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Straight chain fatty acid - Fatty acyl - Fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
• External Descriptors: Hydroxy fatty acids

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

Zugehörige Ziele (menschlich)

FFAR1 Tchem Free fatty acid receptor 1 (4763 Activities)

Discover Target: FFAR1

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

FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

Discover Target: FFAR4

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

Zugehörige Ziele (nicht menschlich)

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 85-88 °C
• Molekulargewicht: 216.320 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 216.173 Da
• Monoisotopic Mass: 216.173 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 146.000
• 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

Referenzen

1. Yang Yang, Fuwei Yang, Xiaotian Shan, Jiamin Xu, Wenjie Fang, Juan Zhou, Lipeng Qiu, Jinghua Chen.  (2021)  Fabrication of pH/Reduction Sensitive Polyethylene Glycol-Based Micelles for Enhanced Intracellular Drug Release.  Pharmaceutics,  13  (9): (1464).  [PMID:34575539] [10.3390/pharmaceutics13091464]

2. Miaomiao Long, Shenhuan Liu, Xiaotian Shan, Jing Mao, Fuwei Yang, Xiaoyu Wu, Lipeng Qiu, Jinghua Chen.  (2020)  Self-assembly of pH-sensitive micelles for enhanced delivery of doxorubicin to melanoma cells.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.jddst.2020.101859]