Bucladesine

HCID 9687CAS 362-74-3

기본 정보

표준 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
분자식: C18H24N5O8P
평균 분자량: 469.4 g/mol
단동위원소 질량: 469.13624974

이름 및 식별자

우선 이름: 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
영어명: Bucladesine
분자식: C18H24N5O8P
분자량: 469.39

이름 및 동의어

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

이름 더 보기

BucladesinN-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 164 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 11
회전 가능 결합 수: 8
무거운 원자 수: 32
형식 전하: 0
복잡도: 759

실험 및 물리화학적 성질

Collision Cross Section · 2건

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]

물리화학적 성질

밀도: 1.72 · 1.72±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: DMSO; 메타노에 용해됨
산도 계수 (pKa): 0.82 · 0.82±0.60(Predicted)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

유해성 정보

Other Safety Information · 1건

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

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

ATC Code · 2건

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

응용 분야 · 2건

개요Bucladesine 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)

용도Bucladesine 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.

공급사50 곳

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]

추가 설명 · 1건

정의ChEBI: 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.

연결된 노트

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