Butyric acid - Moligand™, ≥99.5% , CAS No.107-92-6

CAS: 107-92-6 Cat. No.: B110442 Summenformel: C₄H₈O₂ Molekulargewicht: 88.11 Beilstein Registry Number: 2264 EG-Nummer: 203-532-3

GRADE & PURITY Moligand™, ≥99.5%

Synonyms

GTPL1059 | butoic acid | Honey robber | propylformic acid | Tox21_300164 | BUTYRIC ACID [WHO-DD] | 1-propanecarboxylate | fattyacids | Kyselina maselna | BP-21420 | ethylacetic acid | 40UIR9Q29H | Butyric acid 1000 microg/mL in Acetonitrile | Butyric acid

Storage

Room temperature

Shipped In

FedEx DG Service

Übersicht

Butyric acid is a fatty acid isolated from many dairy products that exhibits anticancer activity. Butyric acid inhibits histone deacetylases (HDACs) and induces apoptosis and G1 phase cell cycle arrest in glioma cells. Additionally, butyric acid stimulates epithelial cell proliferation at low doses and inhibits proliferation at high doses.
A histone deacetylase inhibitor

Specifications

Synonyme

GTPL1059 | butoic acid | Honey robber | propylformic acid | Tox21_300164 | BUTYRIC ACID [WHO-DD] | 1-propanecarboxylate | fattyacids | Kyselina maselna | BP-21420 | ethylacetic acid | 40UIR9Q29H | Butyric acid 1000 microg/mL in Acetonitrile | Butyric acid

Spezifikationen & Reinheit

Moligand™, ≥99.5%

Biochemische und physiologische Mechanismen

Potent HDAC inhibitor (IC 50 values are 16, 12, 9 and 12 μM at HDAC1, 2 ,3 and 4 respectively). Anti-cancer agent. Orally active. Active in vitro and in vivo .

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Moligand™

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥99.5%

Namen und Kennungen

Pubchem Sid

508813769

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813769

Kanonisches Lächeln

CCCC(=O)O

IUPAC Name

butanoic acid

InChIKey

FERIUCNNQQJTOY-UHFFFAOYSA-N

INCHI

1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

Isomere SMILES

CCCC(=O)O

WGK Deutschland

1

RTECS

ES5425000

UN-Nummer

2820

Verpackungsgruppe

III

Molekulargewicht

88.11

Beilstein

2264

Reaxy-Rn

906770

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906770&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• External Descriptors: Straight chain 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)

HCAR2 Tclin Hydroxycarboxylic acid receptor 2 (1 Activities)

Discover Target: HCAR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC1 Tclin Histone deacetylase 1 (1 Activities)

Discover Target: HDAC1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC2 Tclin Histone deacetylase 2 (1 Activities)

Discover Target: HDAC2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC8 Tclin Histone deacetylase 8 (1 Activities)

Discover Target: HDAC8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC3 Tclin Histone deacetylase 3 (1 Activities)

Discover Target: HDAC3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

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

HDAC2 Tclin Histone deacetylase 2 (3971 Activities)

Discover Target: HDAC2

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

HDAC3 Tclin Histone deacetylase 3 (3654 Activities)

Discover Target: HDAC3

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

HDAC4 Tclin Histone deacetylase 4 (2328 Activities)

Discover Target: HDAC4

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

HDAC9 Tclin Histone deacetylase 9 (708 Activities)

Discover Target: HDAC9

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

HDAC7 Tclin Histone deacetylase 7 (1047 Activities)

Discover Target: HDAC7

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

DCXR Tbio L-xylulose reductase (11 Activities)

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Caco-2 (12174 Activities)

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HL-60 (67320 Activities)

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K562 (73714 Activities)

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U-251 (51189 Activities)

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MIA PaCa-2 (5949 Activities)

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SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

Discover Target: SLC16A1

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

FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

Discover Target: FFAR3

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

UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

Discover Target: UGT1A8

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

UGT1A10 Tbio UDP-glucuronosyltransferase 1-10 (257 Activities)

Discover Target: UGT1A10

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

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Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

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

Hdac5 Histone deacetylase 5 (5 Activities)

Discover Target: Hdac5

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

Discover Target: Pkm

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

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

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

Meloidogyne incognita (862 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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WEHI (120 Activities)

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3LLD122 (4 Activities)

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B16-F10 (4610 Activities)

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Radish (446 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

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

Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

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

Lolium rigidum (323 Activities)

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SARS-CoV-2 (38078 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water, ethanol and ether. Slightly miscible with carbon tetrachloride.
• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.3965-1.3995
• Flammpunkt (°F): 161 °F
• Flammpunkt (°C): 72℃
• Siedepunkt (°C): 162-165°C
• Schmelzpunkt (°C): -7--5°C
• Molekulargewicht: 88.110 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 49.500
• 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