2,4-ピリジンジカルボン酸一水和物

2,4-Pyridinedicarboxylic acid monohydrate

HCID 16219881

基本情報

CAS
207671-42-9
標準SMILES
O.O=C(O)c1ccnc(C(=O)O)c1
InChIKey
PLNFTNOXJDBMSM-UHFFFAOYSA-N
分子式
C7H7NO5
平均分子量
185.13 g/mol
単同位体質量
185.03242232

名称と識別子

優先名称
2,4-Pyridinedicarboxylic acid monohydrate
IUPAC
pyridine-2,4-dicarboxylic acid;hydrate
現地名
2,4-ピリジンジカルボン酸一水和物
英語名
PYRIDINE-2,4-DICARBOXYLIC ACID MONOHYDRATE
分子式
C7H5NO4.H2O
分子量
185.13

名称と別名

2,4-Pyridinedicarboxylic acid monohydrateRefChem:443984629-130-1207671-42-9pyridine-2,4-dicarboxylic acid hydrate2,4-Pyridinedicarboxylic Acid Hydratepyridine-2,4-dicarboxylic acid;hydrate2,4-Pyridinedicarboxylic acid, hydrate (1:1)MFCD00149413HDM Inhibitor, 2,4-PDCAPYRIDINE-2,4-DICARBOXYLIC ACID MONOHYDRATESCHEMBL2650345
名称をさらに表示
2,4-ピリジンジカルボン酸一水和物2,4-ピリジンジカルボン酸 一水和物LUTIDINIC ACID MONOHYDRATE2,4-PYRIDINECARBOXYLIC ACID MONOHYDRATE2,4-Pyridinedicarboxylicacid, hydrate (1:1)2,4-Pyridinedicarboxylic acid Monohydrate 98%
DTXSID70585258PLNFTNOXJDBMSM-UHFFFAOYSA-NAKOS015966249SB53388AS-19077PD117535pyridine-2,4-dicarboxylic acid, oxamethaneST50825229

データベース識別子

CAS
207671-42-9
PubChem CID
16219881
DTXSID
DTXSID70585258
EC Number
629-130-1

物性

構造計算による物性

極性表面積
88.5 Ų
水素結合供与体数
3
水素結合受容体数
6
回転可能結合数
2
重原子数
13

物理化学的性質

融点
246 · 246-248 °C (dec.)(lit.)
貯蔵温度
-20 °C · Store at -20°C
溶解性
1.4 mg/ml; · DMSO: 1.4 mg/ml; PBS (pH 7.2): 0.2 mg/ml
外見
A crystalline solid
BRN
131631 · 131631
InChI
1S/C7H5NO4.H2O/c9-6(10)4-1-2-8-5(3-4)7(11)12;/h1-3H,(H,9,10)(H,11,12);1H2

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明2,4-Pyridinedicarboxylic Acid (2,4-PDCA) is a compound that structurally mimics 2-oxoglutarate (2-OG, also known as α-ketoglutarate) and chelates zinc, thus affecting a range of enzymes. As a 2-OG mimic, it blocks the activity of 2-OG oxygenases, which include certain lysine demethylases and a variety of hydroxylases (e.g., prolyl, collagen, lysyl). 2,4-PDCA inhibits several Jumonji domain-containing lysine demethylases when used at low micromolar concentrations. Through its effects on hydroxylases, including prolyl hydroxlase 1 (IC50 = 1.5 μM), 2,4-PDCA modulates hypoxia-inducible factor turnover, collagen synthesis, and plant cell wall formation. It can inhibit zinc-dependent enzymes, like metallo-β-lactamase. 2,4-PDCA also affects and is translocated by organic anion transporters.

サプライヤー25 社

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]

関連反応

3 件

化合物ノート

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