ジアベリジン

Diaveridine

HCID 21453
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基本情報

CAS
5355-16-8
標準SMILES
COc1ccc(Cc2cnc(N)nc2N)cc1OC
InChIKey
LDBTVAXGKYIFHO-UHFFFAOYSA-N
分子式
C13H16N4O2
平均分子量
260.29 g/mol
単同位体質量
260.12732575

概要

Diaveridine is an aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species. It has a role as an antiparasitic agent and a drug allergen.

名称と識別子

優先名称
Diaveridine
IUPAC
5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
現地名
ジアベリジン
英語名
Diaveridine
分子式
C13H16N4O2
分子量
260.29

名称と別名

DIAVERIDINE5355-16-8Diaveridin5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamineDiaveridina2,4-Diamino-5-veratrylpyrimidineDiaveridinumBW 49-2102,4-Diamino-5-(3,4-dimethoxybenzyl)pyrimidineNSC-4087355-((3,4-Dimethoxyphenyl)methyl)-2,4-pyrimidinediamineDTXSID2046200
名称をさらに表示
5-(3,4-ジメトキシベンジル)-2,4-ジアミノピリミジン2,4-ジアミノ-5-ベラトリルピリミジン5-(3,4-ジメトキシベンジル)-2,4-ピリミジンジアミンジアベリジン2,4-ジアミノ-5-(3,4-ジメトキシベンジル)ピリミジン2,4-ジアミノ-5-[3,4-ジメトキシベンジル]ピリミジンジアベリジン標準品ジアベリジン標準液５（３，４ジメトキシベンジル）２，４ジアミノピリミジン5-[(3,4-ジメトキシフェニル)メチル]ピリミジン-2,4-ジアミンDVDDVDDIVERDINEDifenacegis5645dijunjinAI3-23935CCRIS-3784
7KVX81XA87CHEBI:1231152,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-BW-49210BW-49-2102,4-Pyrimidinediamine, 5-((3,4-dimethoxyphenyl)methyl)-DTXCID0026200RefChem:586320

データベース識別子

CAS
5355-16-8
PubChem CID
21453
DTXSID
DTXSID2046200
ChEMBL
CHEMBL19633
ChEBI
CHEBI:123115
UNII
7KVX81XA87
EC Number
226-333-3
Nikkaji
J9.549D

物性

構造計算による物性

XLogP
1
極性表面積
96.3 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
4
重原子数
19

実験および物理化学的性質

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

物理化学的性質

融点
233 ° · 233°
沸点
506.1 · 506.1±60.0 °C(Predicted)
比重(密度)
1.252 · 1.252±0.06 g/cm3(Predicted)
貯蔵温度
2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性
DMSO (わずかに)
酸解離定数(Pka)
7.11 · 7.11±0.10(Predicted)

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationDiaveridine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 2,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
2
rtecs
UV8142000
PRTR法
1-13
hs_code
29335990
risk_code
36/37/38
化審法
一般化学物質

化学と産業

薬理情報

ATC CodeQP - Antiparasitic products, insecticides and repellents

用途と製造

Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan

応用分野

解説digital versatile disk(ディジタル汎用ディスク)の略記号．データ記録媒体の一つ．CDと同様に記録面にレーザー光をあてて読み取る．CDに比べて同一サイズで記録容量が高い(片面1層のもので4.7 GB)．

使用Diaveridine is a dihydrofolate reductase inhibitor. It is used in veterinary medicine as a drug for its anticoccidial properties and its function as an antibacterial synergist.

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
補足説明 · 1 件

定義ChEBI: An aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species.

関連反応

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