2,3-Piperidinedicarboxylic acid

HCID 1226CAS 17079-18-4

基本情報

標準SMILES: O=C(O)C1CCCNC1C(=O)O
InChIKey: PTLWNCBCBZZBJI-UHFFFAOYSA-N
分子式: C7H11NO4
平均分子量: 173.17 g/mol

概要

effective antagonist at all three types of excitatory amino acid receptors; does not depress responses to acetylcholine or substance P

名称と識別子

優先名称: 2,3-Piperidinedicarboxylic acid
IUPAC: piperidine-2,3-dicarboxylic acid
英語名: Piperidine-2,3-Dicarboxylic Acid
分子式: C7H11NO4
分子量: 173.17

名称と別名

17079-18-42,3-Piperidinedicarboxylic acidRefChem:81935605-587-2Piperidine-2,3-dicarboxylic acid2,3-Piperidine dicarboxylic acidMFCD0903295946026-75-92,3-Piperidine dicarboxylate2,3-Piperidinedicarboxylic acid, cis-2,3-piperidine dicarboxylic2,3-Piperidinedicarboxylic acid, (2R,3S)-rel-

名称をさらに表示

SCHEMBL730490orb1306608SCHEMBL6866874PTLWNCBCBZZBJI-UHFFFAOYSA-Ncis-2,3-piperidine-dicarboxylic acidAKOS015897803PB42859SB34208

データベース識別子

CAS: 17079-18-4、46026-75-9
PubChem CID: 1226
EC Number: 605-587-2

物性

構造計算による物性

XLogP: -2.8
極性表面積: 86.6 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 204

物理化学的性質

沸点: 419.4 · 419.4±45.0 °C(Predicted)
比重(密度): 1.363 · 1.363±0.06 g/cm3(Predicted)
酸解離定数(Pka): 2.08 · 2.08±0.40(Predicted)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Drugs used to prevent SEIZURES or reduce their severity.

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.

応用分野 · 1 件

使用2,3-Piperidinedicarboxylic Acid acts as an antagonist of excitatory amino acids in the hippocampus. It is also reported that 2,3-Piperidinedicarboxylic Acid is shown to be neurotoxic and produce highly significant alterations in the physical state of membrane proteins.

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