基本情報
- CAS
11033-22-0- 標準SMILES
OC[C@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)[C@H](O)[C@@H]1O- InChIKey
YOOVTUPUBVHMPG-LODYRLCVSA-N- 分子式
- C11H16N4O5
- 平均分子量
- 284.27 g/mol
- 単同位体質量
- 284.11206962
概要
Coformycin is an N-glycosyl in which (8R)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is attached to ribofuranose via a beta-N3-glycosidic bond. compound The parent of the class of coformycins. It has a role as an EC 3.5.4.4 (adenosine deaminase) inhibitor. It is a conjugate base of a coformycin(1+).
名称と識別子
- 優先名称
- Coformycin
- IUPAC
- (2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- 現地名
- コホルマイシン
- 英語名
- coformycin
- 分子式
- C11H16N4O5
- 分子量
- 284.27
名称と別名
coformycin11033-22-0(R)-3,4,7,8-Tetrahydro-3-beta-D-ribofuranosylimidazo(4,5-d)(1,3)diazepin-8-olE49510ZL0HImidazo(4,5-d)(1,3)diazepin-8-ol, 3,4,7,8-tetrahydro-3-beta-D-ribofuranosyl-, (R)-NSC-277817(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-olCHEBI:16213(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol(2R,3R,4S,5R)-2-((8R)-8-hydroxy-7,8-dihydro-4H-imidazo(4,5-d)(1,3)diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolRefChem:127407
名称をさらに表示
(8R)-3,4,7,8-テトラヒドロ-3-β-D-リボフラノシルイミダゾ[4,5-d][1,3]ジアゼピン-8-オール(8R)-3-β-D-リボフラノシル-3,6,7,8-テトラヒドロイミダゾ[4,5-d][1,3]ジアゼピン-8-オールコホルマイシン(2R,3R,4S,5R)-2-[(8R)-8-ヒドロキシ-3H,4H,7H,8H-イミダゾ[4,5-d][1,3]ジアゼピン-3-イル]-5-(ヒドロキシメチル)オキソラン-3,4-ジオール5-d)(1,3)diazepin-8-ol,3,4,7,8-tetrahydro-3-beta-d-ribofuranosyl-imidazo(((8R)-3-β-D-Ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
物性
構造計算による物性
- XLogP
- -3.1
- 極性表面積
- 132 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 384
物理化学的性質
- 融点
- 182 · 182-184 °C
- 沸点
- 692.67 · 692.670±65.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.964 · 1.964±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 酸解離定数(Pka)
- 12.826 · 12.826±0.20(predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
応用分野
解説コホルマイシン．Nocardia interforma，Streptomyces lavendulae，S.gunmaencesなどから得られるヌクレオシド抗生物質．融点182～184 ℃．[α]D24＋34°(水)．pK5.3．λmax 282 nm(水)．アデノシンデアミナーゼ阻害作用をもつ．ホルマイシンとともに抗腫瘍剤として用いられる．
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TargetMol中国（陶术生物）15002134094 · [email protected]
補足説明
定義ChEBI: An N-glycosyl in which (8R)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is attached to ribofuranose via a beta-N3-glycosidic bond. compound The parent of the class of coformycins.
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