ブクラデシン

Bucladesine

HCID 9687CAS 362-74-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC
InChIKey: CJGYSWNGNKCJSB-YVLZZHOMSA-N
分子式: C18H24N5O8P
平均分子量: 469.4 g/mol
単同位体質量: 469.13624974

名称と識別子

優先名称: Bucladesine
IUPAC: [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
現地名: ブクラデシン
英語名: Bucladesine
分子式: C18H24N5O8P
分子量: 469.39

名称と別名

bucladesineDibutyryl cAMP362-74-3Dibutyryl cyclic AMPdBcAMPActosinCyclic AMP dibutyrateBucladesinaDibutyryl-3',5'-AMPDibutyryl 3',5'-cyclic AMPBucladesinum3',5'-Cyclic AMP dibutyrate

名称をさらに表示

ジブチリル3',5'-環状AMPジブチリル環状AMP3',5'-環状AMPジブチラートN,2-O'-ジブチリルアデノシン3',5'-りん酸N,2'-O-ジブチリルアデノシン3',5'-りん酸ブクラデシンN,2'-O-ジブチリルアデノシン3',5'-ホスファート環状AMPジブチラートN6,2'-O-ジブチリル-cAMPN6,2'-O-ジブチリルcAMP3',5'-サイクリックAMPジブチラートジブチリルcAMPアクトシンサイクリックAMPジブチラートジブチリル環状3',5'-AMPN-(1-オキソブチル)アデノシン3',5'-りん酸2'-ブチラートジブチリル3',5'-サイクリックAMPN-ブチリルアデノシン3',5'-ホスファート2'-ブチラートN,2'-O-ビス(1-オキソブチル)アデノシン3',5'-りん酸ジブチリルサイクリックAMPBucladesinN-(9-beta-D-RibofuraDibutyryl cyclic 3',5'-AMPCalciuM DibutyacyladenosineBucladesine (Dibutyryl-cAMP)Butyryladenosine Cyclophosphate

Dibutyryladenosine cyclic monophosphateDibutyryl cyclic 3',5'-adenylic acidDibutyryl adenosine 3',5'-monophosphateDibutyryl adenosine 3',5'-cyclic phosphateDTXSID1040459Dibutyryl cyclic adenosine monophosphateDibutyryladenosine 3',5'-cyclic monophosphateDibutyryl cyclic adenosine 3',5'-monophosphate

データベース識別子

CAS: 362-74-3
PubChem CID: 9687
DTXSID: DTXSID1040459
ChEMBL: CHEMBL485980
ChEBI: CHEBI:50095
UNII: 63X7MBT2LQ
EC Number: 206-649-8
Nikkaji: J33.134A

物性

構造計算による物性

XLogP: -0.5
極性表面積: 164 Å²
水素結合供与体数: 2
水素結合受容体数: 11
回転可能結合数: 8
重原子数: 32
形式電荷: 0
複雑度: 759

実験および物理化学的性質

Collision Cross Section · 2 件

215.3 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

210.36 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；214.52 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；214.45 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

比重(密度): 1.72 · 1.72±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C Freezer
溶解性: DMSO;メタノ
酸解離定数(Pka): 0.82 · 0.82±0.60(Predicted)
外見: 個体
色: 白い

安全と法規制

危険有害性情報

Other Safety Information · 1 件

IMAP assessments - Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate: Environment tier I assessment；IMAP assessments - Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate: Human health tier I assessment

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

薬理情報

ATC Code · 2 件

C - Cardiovascular system；C01 - Cardiac therapy；C01C - Cardiac stimulants excl. cardiac glycosides；C01CE - Phosphodiesterase inhibitors；C01CE04 - Bucladesine

QC - Cardiovascular system；QC01 - Cardiac therapy；QC01C - Cardiac stimulants excl. cardiac glycosides；QC01CE - Phosphodiesterase inhibitors；QC01CE04 - Bucladesine

応用分野 · 2 件

説明Bucladesine is a cyclic nucleotide derivative that mimics the action of endogenous CYCLIC AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant. (From Merck Index, 11th ed)

使用Bucladesine is a cell permeable cAMP analog. The compound is used in a wide variety of research applications because it mimics cAMP and can induce normal physiological responses when added to cells in experimental conditions. cAMP is only able to elicit minimal responses in these situations. The neurite outgrowth instigated by bucladesine in cell cultures has been shown to be enhanced by nardosinone.

サプライヤー50 社

Hangzhou Meiya Pharmaceutical Co Ltd+86-021-33686691 +86-18001850931 · [email protected]

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

補足説明 · 1 件

定義ChEBI: Bucladesine is a 3',5'-cyclic purine nucleotide that is the 2'-butanoate ester and 6-N-butanoyl derivative of 3',5'-cyclic AMP. It has a role as an agonist, a vasodilator agent and a cardiotonic drug. It is a butyrate ester, a 3',5'-cyclic purine nucleotide and a member of butanamides. It is functionally related to a 3',5'-cyclic AMP.