O-(6)-Methylguanine (HCID 65275)

개요

6-O-methylguanine is a methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. It has a role as a mutagen.

이름 및 식별자

우선 이름: O-(6)-Methylguanine
IUPAC: 6-methoxy-7H-purin-2-amine
영어명: 6-O-Methyl-guanine
분자식: C6H7N5O
분자량: 165.15

이름 및 동의어

20535-83-56-Methoxyguanine6-O-Methylguanine6-Methoxy-7H-purin-2-amineO6-MethylguanineO-(6)-Methylguanine1H-Purin-2-amine, 6-methoxy-Purine, 2-amino-6-methoxy-6-Methoxy-1H-purine-2-amineO(sup 6)-MethylguanineDTXSID9049405O(6)-methylguanine

이름 더 보기

6-methoxy-9h-purin-2-amineO-METHYLGUANINEo(sup6)-methylguanine6-O-Methylguanine 97%Aminomethoxypurine,97%

NSC 37364NSC-373649B710FV2AEDTXCID8029365CHEBI:20689METHYLGUANINE, O(6)-NELARABINE METABOLITE (METHYLGUANINE)6-methylguanine

데이터베이스 식별자

CAS: 20535-83-5
PubChem CID: 65275
DTXSID: DTXSID9049405
ChEMBL: CHEMBL226395
ChEBI: CHEBI:20689
UNII: 9B710FV2AE
EC Number: 606-576-5
Nikkaji: J122.003I

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 89.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 166

실험 및 물리화학적 성질

Solubility>24.8 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 300 °C · >300 °C(lit.)
끓는 점: 598.5 · 598.5±53.0 °C(Predicted)
밀도: 1.531 · 1.531±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨, 가열), 물(약간 용해됨, 가열)
물리적 상태: 고체
산도 계수 (pKa): 9.74 · 9.74±0.10(Predicted)
색상: 황백색에서 연한 노란색
BRN: 645384 · 645384
InChI: InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
InChIKey: BXJHWYVXLGLDMZ-UHFFFAOYSA-N
SMILES: N1C2C(=NC(N)=NC=2OC)NC=1

화학적 성질

Off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, 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 4 reports by companies from 3 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
rtecs: UO7473000
HS 번호: 29349990
hazard_code: Xi
safety_code: 24/25
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Antitumor agent

일반 설명Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards

상·하류 제품 정보

하류 제품

에이사이클로비르

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

추가 설명 · 1건

정의ChEBI: A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA.