기본 정보
- CAS
3031-94-5- 표준 SMILES
NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N- InChIKey
NOTGFIUVDGNKRI-UUOKFMHZSA-N- 분자식
- C9H15N4O8P
- 평균 분자량
- 338.21 g/mol
- 단동위원소 질량
- 338.06275045
개요
AICA ribonucleotide is a 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative. It has a role as a cardiovascular drug, a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escherichia coli metabolite and a human metabolite. It is an aminoimidazole and a 1-(phosphoribosyl)imidazolecarboxamide. It is functionally related to an acadesine. It is a conjugate acid of a 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-).
이름 및 식별자
- 우선 이름
- AICA Ribotide
- IUPAC
- [(2R,3S,4R,5R)-5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- 영어명
- 5'-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate
- 분자식
- C9H15N4O8P
- 분자량
- 338.21
이름 및 동의어
AICA ribonucleotide3031-94-5Z-nucleotideAICA-ribonucleotideaminoimidazole carboxamide ribonucleotide5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide5-amino-4-imidazolecarboxamide ribotideAcadesine 5'-monophosphate5-Aminoimidazole-4-carboxamide ribotideAICA RibotideF0X88YW0YK5-Amino-4-imidazole carboxamide ribonucleotide
이름 더 보기
ZMP5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5'-MONOPHOSPHATEAICA-Riboside, 5′-PhosphateNSC 283955NSC 292227AICAR-5'-MPAcaribonucleotideAICAR-5'-MP / ZMPAICAR-5′,-MP
5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole5-Amino-4-imidazolecarboxamide ribonucleoside 5'-monophosphateNSC-283955NSC-2922275'-Phospho-ribosyl-5-amino-4-imidazole carboxamideCHEBI:18406Imidazole-4-carboxamide, 5-amino-1-beta-D-ribofuranosyl-, 5'-(dihydrogen phosphate){[(2R,3S,4R,5R)-5-(5-amino-4-carbamoyl-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
물성
구조 계산 물성
- XLogP
- -3.8
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 475
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section
171.6 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
170.5 Ų [M-H]-
물리화학적 성질
- 녹는점
- 198 · 198-202°C dec.
- 끓는 점
- 845.3 · 845.3±75.0 °C(Predicted)
- 밀도
- 2.3 · 2.30±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- DMSO(약간 용해됨, 가열, 초음파 처리), 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 흰색에서 밝은 분홍색 고체
- 산도 계수 (pKa)
- 1.86 · 1.86±0.10(Predicted)
- 색상
- 흰색에서 분홍색으로
- 수용성
- 1 mg/mLDMSO: · water: 1mg/mLDMSO: 30mg/mL
- 안정성
- 흡습성
- InChI
- 1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29349990
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances which lower blood glucose levels.
Tissue LocationsSkeletal Muscle
Cellular LocationsCytoplasm
Metabolite PathwaysAdenine phosphoribosyltransferase deficiency (APRT)
응용 분야
용도AICAR monophosphate is a 5′′-phosphorylated analog of cell permeable AICAR that mimics AMP. AICAR is an adenosine monophophate (AMP)-activated protein kinase (AMPK) activator/agonist.
일반 설명5-Aminoimidazole-4-carboxamide-1-β-D-ribofuranosyl 5′-monophosphate (AICAR monophosphate) is an intermediate metabolite in the purine de novo synthesis pathway and a potent activator of the human AMP-activated protein kinase (AMPK) activity in vitro. It can play an important regulatory role.
공급사49 곳
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
泰州葛林美克医药科技有限公司
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