CAS 2382-10-7 2,6-dichloro-9-methyl-9H-purine (HCID 1712553)

기본 정보

CAS: 2382-10-7
표준 SMILES: Cn1cnc2c(Cl)nc(Cl)nc21
InChIKey: HWMJNDVUIMQFEW-UHFFFAOYSA-N
분자식: C6H4Cl2N4
평균 분자량: 203.03 g/mol
단동위원소 질량: 201.98130149

이름 및 식별자

우선 이름: 2,6-dichloro-9-methyl-9H-purine
IUPAC: 2,6-dichloro-9-methylpurine
현지명: 2,6-디클로로-9-메틸-9H-퓨린
영어명: 2,6-DICHLORO-9-METHYL-9H-PURINE
분자식: C6H4Cl2N4
분자량: 203.03

이름 및 동의어

2,6-dichloro-9-methyl-9H-purine2382-10-7DTXSID30364849RefChem:248273DTXCID30315891811-974-92,6-dichloro-9-methylpurineMFCD002787789H-Purine, 2,6-dichloro-9-methyl-SCHEMBL183035AKOS015902201AB05912

이름 더 보기

2,6-디클로로-9-메틸-9H-퓨린9-Methyl-2,6-dichloropurine2,6-dichloro-9-methyl-1H-purine2,6-dichloro-9-methyl-9H-purine176328Hexanoicacid,5-methyl-5-oxo-,ethylester

GS-3812SY008423Z1269241610AM200902612,6-dichloro-9-methyl-purineSCHEMBL294262259-methyl-2,6-dichloro-9H-purineSBB093038

데이터베이스 식별자

CAS: 2382-10-7
PubChem CID: 1712553
DTXSID: DTXSID30364849
EC Number: 811-974-9
Nikkaji: J2.014.003H

물성

구조 계산 물성

XLogP: 2
극성 표면적: 43.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 179

물리화학적 성질

녹는점: 152 · 152-153℃
끓는 점: 307.2 · 307.2±52.0 °C(Predicted)
밀도: 1.76 · 1.76
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -0.9 · -0.90±0.10(Predicted)
InChI: InChI=1S/C6H4Cl2N4/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3
InChIKey: HWMJNDVUIMQFEW-UHFFFAOYSA-N
SMILES: N1C2C(=NC(Cl)=NC=2Cl)N(C)C=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 (50%)

안전 데이터

HS 번호: 2933599590
risk_code: 22
hazard_code: Xn

화학 및 산업

응용 분야

용도2,6-DICHLORO-9-METHYLPURINE acts as a reagent in the synthesis of highly selective inhibitors of PI3K-δ used in the treatment of inflammatory diseases such as leukocyte related illnesses.