기본 정보
- CAS
15763-06-1- 표준 SMILES
Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N- InChIKey
GFYLSDSUCHVORB-IOSLPCCCSA-N- 분자식
- C11H15N5O4
- 평균 분자량
- 281.27 g/mol
- 단동위원소 질량
- 281.11240398
개요
1-methyladenosine is a methyladenosine carrying a methyl substituent at position 1. It has a role as a human metabolite. It is functionally related to an adenosine.
이름 및 식별자
- 우선 이름
- 1-Methyladenosine
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol
- 현지명
- 1-메틸라데노신
- 영어명
- 1-Methyladenosine
- 분자식
- C11H15N5O4
- 분자량
- 281.27
이름 및 동의어
1-Methyladenosine15763-06-1N(1)-methyladenosineCHEBI:16020DTXSID30864632(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-6,9-dihydro-1H-purin-9-yl)oxolane-3,4-diolRefChem:907696DTXCID201334155Adenosine, 1-methyl-N1-Methyladenosine(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diolAdenosine, N,6-didehydro-1,6-dihydro-1-methyl-
이름 더 보기
1-메틸라데노신N1-Me-rAN1-Me-Adenosine1-methyladenosine free baseRNA-modified nucleoside m1A1-Methyladenosine, 10 mM in DMSON,6-Didehydro-1,6-dihydro-1-methyladenosine(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-purin-9-yl)oxolane-3,4-diolinhibit,1-Methyladenosine,1 Methyladenosine,Endogenous Metabolite,Inhibitor,1Methyladenosine
AKOS030241121NCGC00163305-01AC-32347PD018070HY-113081H10051(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-purin-9-yl)tetrahydrofuran-3,4-diolAdenosine, N,6-didehydro-1,9-dihydro-1-methyl-
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 433
실험 및 물리화학적 성질
Physical DescriptionSolid
Collision Cross Section
162.7 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
159.21 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
164.9 Ų [M+H]+
물리화학적 성질
- 녹는점
- 217 °C · >217°C (dec.)
- 끓는 점
- 655.4 · 655.4±65.0 °C(Predicted)
- 밀도
- 1.88 · 1.88±0.1 g/cm3(Predicted)
- 저장 조건
- 20 °C · −20°C
- 용해도
- DMSO (약간 용해됨), 물 (약간 용해됨,초음파처리)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.24 · 13.24±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- 수소이온지수(pH)
- 8.8 · 8.8
- 안정성
- 흡습성, 감광성
- InChI
- InChI=1/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/s3
- InChIKey
- GFYLSDSUCHVORB-ABFAXUGDNA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- HS 번호
- 29389090
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
응용 분야
개요1-Methyladenosine is a modified nucleoside generated by the processing of tRNA by methyltransferases. The urinary excretion of 1-methyladenosine is elevated in several forms of cancer, supporting its use as a biomarker in early detection. It can also be monitored in serum. Urinary levels of 1-methyladenosine also increase during active rheumatoid arthritis.
용도1-Methyl Adenosine is a modified adenosine molecule created through the processing of tRNA by methyltransferases. The presence seen to be elevated in the urinary excretion of cancer patients. Thus it may be an early diagnosis biomarker.
공급사81 곳
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