6-(메틸라미노)퓨린

N6-Methyladenine

HCID 67955

기본 정보

CAS: 443-72-1
표준 SMILES: CNc1ncnc2nc[nH]c12
InChIKey: CKOMXBHMKXXTNW-UHFFFAOYSA-N
분자식: C6H7N5
평균 분자량: 149.15 g/mol
단동위원소 질량: 149.07014522

개요

6-methyladenine is a methyladenine that is 9H-purin-6-amine substituted by a methyl group at the amino nitrogen. It has a role as a human metabolite. It is a 6-alkylaminopurine and a methyladenine.

이름 및 식별자

우선 이름: N6-Methyladenine
IUPAC: N-methyl-7H-purin-6-amine
현지명: 6-(메틸라미노)퓨린
영어명: 6-(METHYLAMINO)PURINE
분자식: C6H7N5
분자량: 149.15

이름 및 동의어

443-72-1N-methyl-7H-purin-6-amineN6-Methyladenine6-Methyladenine6-MethylaminopurineN6-Monomethyladenine1H-Purin-6-amine, N-methyl-6-MAPAdenine, N-methyl-W7IBY2BGAXNSC-11580CHEBI:28871

이름 더 보기

6-(메틸라미노)퓨린N-METHYLADENINEN6-MethylademineN(Sup6)-Methyladenine

N(6)-methyladenineRefChem:105017207-137-76-(Methylamino)purineN-Methyl-9H-purin-6-amine6-Monomethylaminopurine(N-6)-MethyladenineMethyl(purin-6-yl)amine

데이터베이스 식별자

CAS: 443-72-1
PubChem CID: 67955
DTXSID: DTXSID1020857
ChEMBL: CHEMBL1738843
ChEBI: CHEBI:28871
UNII: W7IBY2BGAX
EC Number: 207-137-7
Nikkaji: J128.125I

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 66.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

Solubility1.18 mg/mL at 20 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 300 °C · ≥300 °C
끓는 점: 256.3 · 256.3±50.0 °C(Predicted)
밀도: 1.57 · 1.57±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
물리적 상태: 고체
산도 계수 (pKa): 9.61 · 9.61±0.20(Predicted)
색상: 흰색에서 밝은 회색까지
주요 응용: 일반 분석생명과학 및 바이오제약대사체학
InChI: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
InChIKey: CKOMXBHMKXXTNW-UHFFFAOYSA-N
SMILES: N1=CN=C(NC)C=2NC=NC12

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2933998090
F 고인화성물질: 10-23

화학 및 산업

응용 분야 · 1건

용도6-(Methylamino)purine, 6-methylade is a reagent for substitution of adenine nucleotide analogs containing bicyclohexane ring system locked in northern conformation enhanced potency as py receptor antagonists. Adenine methylation as an epigenic mark has been observed in single-celled organisms and also rarely in mamalian cells.

상·하류 제품 정보

상류 원료

N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine 4,6-Pyrimidinediamine, N-methyl-5-(phenylazo)-4,5,6-피리미딘트리아민,N4-메틸-(9CI)1-METHYLADENINE 메틸아민 하이드로클로라이드 니켈 메틸아민 6H-퓨린-6-이민,1,7-디하이드로-(9CI)오소포름산에틸 6-Chloropurine

하류 제품

퓨린

공급사67 곳

上海康恩博医药科技有限公司（科小研试剂）

화합물 노트

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기본 정보

CAS: 443-72-1
표준 SMILES: CNc1ncnc2nc[nH]c12
InChIKey: CKOMXBHMKXXTNW-UHFFFAOYSA-N
분자식: C6H7N5
평균 분자량: 149.15 g/mol
단동위원소 질량: 149.07014522

개요

6-methyladenine is a methyladenine that is 9H-purin-6-amine substituted by a methyl group at the amino nitrogen. It has a role as a human metabolite. It is a 6-alkylaminopurine and a methyladenine.