基本情報
- CAS
73-03-0- 標準SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O- InChIKey
OFEZSBMBBKLLBJ-BAJZRUMYSA-N- 分子式
- C10H13N5O3
- 平均分子量
- 251.24 g/mol
- 単同位体質量
- 251.10183928
概要
Cordycepin is a member of adenosines and a 3'-deoxyribonucleoside. It has a role as a nucleoside antibiotic and an antimetabolite.
名称と識別子
- 優先名称
- Cordycepin
- IUPAC
- (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
- 現地名
- 9-(3-デオキシ-β-D-erythro-ペントフラノシル)-9H-プリン-6-アミン
- 英語名
- Cordycepin
- 分子式
- C10H13N5O3
- 分子量
- 251.24
名称と別名
Cordycepin3'-Deoxyadenosine73-03-0Cordycepine9-CordyceposidoadenineADENOSINE, 3'-DEOXY-9-(beta-D-3'-Deoxyribofuranosyl)adenineGZ8VF4M2J8NSC-63984DTXSID1041007NSC-401022beta-D-erythro-Pentofuranoside, adenine-9 3-deoxy-
名称をさらに表示
コルジセピン3'-デオキシアデノシン9-コルジセポシドアデニン9-(3-デオキシ-β-D-erythro-ペントフラノシル)-9H-プリン-6-アミン虫草素コルジセピン水和物コルジセピン (サナギタケ由来)3'-デオキシアデノシン (サナギタケ由来)(2R,3R,5S)-2-(6-アミノ-9H-プリン-9-イル)-5-(ヒドロキシメチル)オキソラン-3-オール3′-デオキシアデノシンCipargamin3'-dAchongcaoduitangAdenine cordyceposideNSC 63984NSC 401022
(2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-olCHEBI:290149H-Purin-6-amine, 9-(3-deoxy-beta-D-erythro-pentofuranosyl)-(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-olNSC627047cordycepeneKordicepin3-dAdenosine
物性
構造計算による物性
- XLogP
- -1.2
- 極性表面積
- 119 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 307
実験および物理化学的性質
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antibiotics
物理化学的性質
- 融点
- 225 · 225-229 °C
- 比旋光度
- 20 · D20 -47°; D27 -42°
- 沸点
- 394.4 °C · 394.4°C (rough estimate)
- 比重(密度)
- 1.2938 · 1.2938 (rough estimate)
- 屈折率
- 1.761 · 1.7610 (estimate)
- 貯蔵温度
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 溶解性
- DMSO に可溶 (最大 25 mg/ml)。
- 外見
- 粉
- 酸解離定数(Pka)
- 13 · 13+-.0.60(Predicted)
- 色
- ホワイトからオフホワイト
- 由来生物
- Cordyceps militaris
- Merck
- 14 · 14,2529
- BRN
- 35194 · 35194
- 安定性
- -20 °C · -20°C の DMSO 溶液で最大 3 か月間保存できます。
- 化粧品成分の機能
- スキンコンディショニング
- InChI
- 1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
安全と法規制
GHS分類
GHS Classification
Danger
H301 (95.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 43 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 InformationAdenosine, 3'-deoxy-: 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.
Hazard Classes and CategoriesAcute Tox. 3 (95.3%)
安全データ
- F
- 10-21
- wgk
- 3
- rtecs
- AU7358610
- ridadr
- UN 2811
- hs_code
- 29349990
- risk_code
- 40-36/37/38-25-20/21/22
- hazard_code
- Xn,T
- safety_code
- 22-36-45-26
- hazard_class
- 6.1
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
応用分野
使用First reported nucleoside antibiotic.
一般的な説明Chemical structure: nucleoside
調製方法
純化方法3'-Deoxyadenosine forms needles from EtOH, n-BuOH and n-PrOH, and a monohydrate from H2O. It has max 260nm ( 14,600) in EtOH. The picrate has m 195o(dec, yellow crystals from H2O). [Kaczka et al. Biochim Biophys Acta 14 456 1964, Todd & Ulbricht J Chem Soc 3275 1960, Lee et al. J Am Chem Soc 83 1906 1961, Walton et al. J Am Chem Soc 86 2952 1964, Beilstein 26 III/IV 3594.]
上流・下流製品情報
下流製品
サプライヤー100 社
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
関連反応
1 件
化合物ノート
読み込み中…