Nipecotic acid - Moligand™,100mM in Water , CAS No.498-95-3

CAS: 498-95-3 Cat. No.: N275886 Summenformel: C₆H₁₁NO₂ Molekulargewicht: 129.16 Beilstein Registry Number: 22,8 EG-Nummer: 207-873-9

GRADE & PURITY Moligand™, 100mM in Water

Synonyms

HMS500H10 | CCG-40009 | IDI1_000148 | Piperidine-3-carboxylic acid | SR-01000075612 | HMS3260I03 | NCGC00014992-08 | EU-0100041 | SB41071 | Tox21_500041 | 3-Piperidinecarboxylic acid | 3-piperidinic acid | NCGC00024510-03 | SR-01000075612-2 | BDBM50003624

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Nipecotic acid ((±)-β-Homoproline) is a potent inhibitor of neuronal and glial-aminobutyric acid (GABA) uptake in vitro. Nipecotic acid can also directly activate GABAA-like chloride channels, with an EC50 of approximately 300 μM.

Specifications

Synonyme

HMS500H10 | CCG-40009 | IDI1_000148 | Piperidine-3-carboxylic acid | SR-01000075612 | HMS3260I03 | NCGC00014992-08 | EU-0100041 | SB41071 | Tox21_500041 | 3-Piperidinecarboxylic acid | 3-piperidinic acid | NCGC00024510-03 | SR-01000075612-2 | BDBM50003624

Spezifikationen & Reinheit

Moligand™,100mM in Water

Biochemische und physiologische Mechanismen

GABA reuptake inhibitor Soluble in 1 ml water to give specified mM/ml concentration.

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™

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.

Namen und Kennungen

Kanonisches Lächeln

C1CC(CNC1)C(=O)O

IUPAC Name

piperidine-3-carboxylic acid

InChIKey

XJLSEXAGTJCILF-UHFFFAOYSA-N

INCHI

1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)

Isomere SMILES

C1CC(CNC1)C(=O)O

WGK Deutschland

3

RTECS

TM6125380

Alternative CAS-Nummer

60252-41-7

Molekulargewicht

129.16

Beilstein

22,8

Reaxy-Rn

81096

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81096&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• External Descriptors: piperidinemonocarboxylic acid - beta-amino acid

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)

SLC6A1 Tclin Sodium- and chloride-dependent GABA transporter 1 (1 Activities)

Discover Target: SLC6A1

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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

SLC6A1 Tclin GABA transporter 1 (308 Activities)

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

ABAT Tclin Gamma-amino-N-butyrate transaminase (140 Activities)

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

ARSA Tbio Cerebroside-sulfatase (655 Activities)

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

SLC6A11 Tchem GABA transporter 3 (176 Activities)

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

GAD1 Tbio Glutamate decarboxylase 67 kDa isoform (2 Activities)

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

SLC6A12 Tchem Betaine transporter (274 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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

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

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Zugehörige Ziele (nicht menschlich)

Slc25a20 Carnitine/acylcarnitine translocase (26 Activities)

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Slc6a13 GABA transporter 2 (37 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Slc6a11 GABA transporter 4 (930 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Drosophila (190 Activities)

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Gabrp GABA-A receptor; anion channel (5731 Activities)

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Slc6a11 GABA transporter (190 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in 1 ml water to give specified mM/ml concentration
• Schmelzpunkt (°C): 255°C
• Molekulargewicht: 129.160 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.079 Da
• Monoisotopic Mass: 129.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1