基本情報
- CAS
121808-62-6- 標準SMILES
O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1- InChIKey
UUTKICFRNVKFRG-WDSKDSINSA-N- 分子式
- C9H12N2O4S
- 平均分子量
- 244.27 g/mol
- 単同位体質量
- 244.05177804
概要
(4R)-3-[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]-4-thiazolidinecarboxylic acid is a peptide.
名称と識別子
- 優先名称
- Pidotimod
- IUPAC
- (4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
- 現地名
- ピドチモド
- 英語名
- Pidotimod
- 分子式
- C9H12N2O4S
- 分子量
- 244.27
名称と別名
Pidotimod121808-62-6PidotimodumPilimodDTXSID0046199NSC-759841(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acidDTXCID8026199785363R681Pgt-1A(4R)-3-((2S)-5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acidRefChem:174211
名称をさらに表示
(4S)-3-(5-オキソ-L-プロリル)チアゾリジン-4-カルボン酸ピドチモド3-(5-オキソ-L-プロリル)-L-チアゾリジン-4-カルボン酸(4S)-3-[[(2S)-5-オキソ-2-ピロリジニル]カルボニル]チアゾリジン-4-カルボン酸3-L-ピログルタモイルチアゾリジン-4-カルボン酸3-ピログルタモイルチアゾリジン-4-カルボン酸(R)-3-[[(S)-5-オキソ-2-ピロリジニル]カルボニル]-1,3-チアゾリジン-4-カルボン酸AdimodPidomod3-L-pyroglutaMyl-L-thiazolidine-4-carboxylic acidAxilOnakapiduomodPidomomod
3-((5-Oxo-2-pyrrolidinyl)carbonyl)-4-thiazolidinecarboxylic acidL03AX053-Pyroglutamylthiazolidine-4-carboxylic acidPidotomod(R)-3-((S)-5-Oxopyrrolidine-2-carbonyl)thiazolidine-4-carboxylic acidPGT/1APolimodPidotimod [INN]
物性
構造計算による物性
- XLogP
- -0.7
- 極性表面積
- 112 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 346
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Solubility>36.6 [ug/mL] (The mean of the results at pH 7.4)
物理化学的性質
- 融点
- 194 · 194-198°C (dec.)
- 比旋光度
- 25 · D25 -150° (c = 2 in 5N HCl)
- 沸点
- 663 · 663.0±55.0 °C(Predicted)
- 比重(密度)
- 1.53 · 1.53
- 貯蔵温度
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 溶解性
- 5 N · DMSO(微熱)、メタノール(微熱)、5N HCl(微熱)
- 酸解離定数(Pka)
- 3.03 · 3.03(at 25℃)
- 外見
- 粉
- 色
- 白からベージュ
- 水溶解度
- 2 O: · H2O: 2mg/mL, clear (warmed)
- Merck
- 14 · 14,7419
- InChI
- InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1
- InChIKey
- UUTKICFRNVKFRG-WDSKDSINSA-N
- SMILES
- S1C[C@@H](C(O)=O)N(C([C@@H]2CCC(=O)N2)=O)C1
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- WGK 3
- rtecs
- XJ5426675
- 毒性
- LD50 in mice and rats (mg/kg): >4000 i.v.; >4000 i.m.; >8000 i.p.; >8000 orally (Coppi)
- hs_code
- 2934.10.9000
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
ATC Code
L - Antineoplastic and immunomodulating agents
QL - Antineoplastic and immunomodulating agents
PharmacodynamicsPidotimod modulates the immune system to induce an immune response against bacterial or viral pathogens
Mechanism of Action
Pidotimod inhibits tumor necrosis factor α (TNF-α) induced increases in extracellular signal-related kinase (ERK) phosphorylation. It also increases nuclear factor κB (NFκB) expression and translocation to the nucleus. It is these to modulatory effects on ERK and NFκB signalling which are thought to produce the increase in toll-like receptor expression seen with pidotimod. Pidotimod increase maturation of dendritic cells responsible for presenting antigens to naive Th-cells. It also appears to result in a greater population these cells diiferentiating to Th1 cells which are believed to mediate the immune response to pathogens like bacteria and viruses. Lastly, pidotimod appears to increase antigen-specific antibody titer and cytotoxic response with antigen exposure. The precise mechanism and timeline of events leading to these effects is unknown.
Biological Half-LifeHalf life of 4 h.
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Biologically active substances whose activities affect or play a role in the functioning of the immune system.
Absorption, Distribution and Excretion
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