2,6-Diaminopurine (HCID 30976)

概要

9H-purine-2,6-diamine is a member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups. It has a role as an antineoplastic agent. It is a member of 2,6-diaminopurines and a primary amino compound. It is functionally related to an adenine.

名称と識別子

優先名称: 2,6-Diaminopurine
IUPAC: 7H-purine-2,6-diamine
現地名: 2,6-ジアミノプリン
英語名: 2,6-Diaminopurine
分子式: C5H6N6
分子量: 150.14

名称と別名

2,6-Diaminopurine1904-98-97H-purine-2,6-diamine2-Aminoadenine9H-Purine-2,6-diamine1H-Purine-2,6-diamine49P95BAU4ZNSC-743NSC743DTXSID0062052CHEBI:40235RefChem:445298

名称をさらに表示

2,6-ジアミノプリン7H-プリン-2,6-ジアミン2,6-ジアミノ-7H-プリン1H-プリン-2,6-ジアミン9H-プリン-2,6-ジアミン2-アミノアデニン2,6-ジアミノ-9H-プリン2,6-ジアミノプリン水和物2,6‐ジアミノプリン2,6-ジアミノプリン, 98%PYRIDINE-2,6-DIAMINEx79X 7926DAPYsq21065

DTXCID6035998CHEBI:38001217-605-22,6-diamino-9h-purine26-diaminopurinePurine, 2,6-diamino-Clofarabine Impurity 2NSC 743

データベース識別子

CAS: 133762-79-5、1904-98-9
PubChem CID: 30976
DTXSID: DTXSID0062052
ChEMBL: CHEMBL388596
ChEBI: CHEBI:40235
UNII: 49P95BAU4Z
EC Number: 217-605-2
Nikkaji: J3.379K

物性

構造計算による物性

XLogP: -0.9
極性表面積: 107 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: 0
重原子数: 11
形式電荷: 0
複雑度: 150

物理化学的性質

融点: 300 °C · >300 °C (lit.)
沸点: 285 °C · 285 °C(lit.)
比重(密度): 1.2562 · 1.2562 (rough estimate)
屈折率: 1.875 · 1.8750 (estimate)
闪点: 155 °C · 155 °C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 結晶性粉末または顆粒
酸解離定数(Pka): 8.61 · 8.61±0.20(Predicted)
色: 白色～淡黄色
水溶解度: 2.38 g/L · 2.38g/L（20℃）
Merck: 14 · 14,2985
BRN: 9624 · 9624
InChI: 1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N
SMILES: Nc1nc(N)c2nc[nH]c2n1
CAS データベース: 1904 · 1904-98-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Purine, 2,6-diamio-(1904-98-9)
EPAの化学物質情報: 2 · 2,6-Diaminopurine (1904-98-9)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information1H-Purine-2,6-diamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (88.2%)

安全データ

F: 9
wgk: 3
tsca: TSCA listed
rtecs: US7570000
hs_code: 29335990
risk_code: 22-36/37/38-40-20/21/22
hazard_code: Xn
safety_code: 26-45-36/37-36/37/39-27-36-22
Hazard Classifications: Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological ClassificationCompounds that inhibit cell production of DNA or RNA.

用途と製造

General Manufacturing Information9H-Purine-2,6-diamine: ACTIVE

応用分野

用途生化学研究用。

使用2,6-Diaminopurine can be used as analyte for biological and analytical studies of incorporation of unnatural nucleotides into mutant tRNA and proteins.