PD-166326

HCID 447700CAS 185039-91-2

기본 정보

표준 SMILES: Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(CO)c3)nc21
InChIKey: ZIQFYVPVJZEOFS-UHFFFAOYSA-N
분자식: C21H16Cl2N4O2
평균 분자량: 427.3 g/mol
단동위원소 질량: 426.06503111

이름 및 식별자

우선 이름: PD-166326
IUPAC: 6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
영어명: PD 166326
분자식: C21H16Cl2N4O2
분자량: 427.28

이름 및 동의어

185039-91-2PD-1663260H77F2T4U3Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-((3-(hydroxymethyl)phenyl)amino)-8-methyl-RefChem:858789PD166326Pd 1663266-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one6-(2,6-dichlorophenyl)-2-((3-(hydroxymethyl)phenyl)amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-Dichlorophenyl)-2-[[3-(hydroxymethyl)phenyl]amino]-8-methyl-pyrido[2,3-d]pyrimidin-7(8H)-oneUNII-0H77F2T4U3

이름 더 보기

PD166326 >=98% (HPLC)6-(2,6-Dichloro-phenyl)-2-(3-hydroxyMethyl-phenylaMino)-8-Methyl-8H-pyrido[2,3-d]pyriMidin-7-onePyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-[[3-(hydroxymethyl)phenyl]amino]-8-methyl-

ZIQFYVPVJZEOFS-UHFFFAOYSA-NSCHEMBL256710C21H16Cl2N4O2BDBM3085CHEMBL327127orb1704885SCHEMBL29658884SCHEMBL29931141

데이터베이스 식별자

CAS: 185039-91-2
PubChem CID: 447700
DTXSID: DTXSID301356932
ChEMBL: CHEMBL327127
UNII: 0H77F2T4U3
Nikkaji: J1.012.561H

물성

구조 계산 물성

XLogP: 4
극성 표면적: 78.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 29
형식 전하: 0
복잡도: 624

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 646.3 · 646.3±65.0 °C(Predicted)
밀도: 1.475 · 1.475±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 25 mg/ml · ≤25mg/ml in DMSO;25mg/ml in dimethyl formamide
물리적 상태: 결정질 고체
산도 계수 (pKa): 14.29 · 14.29±0.10(Predicted)
색상: White to off-white
InChI: 1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
InChIKey: ZIQFYVPVJZEOFS-UHFFFAOYSA-N
SMILES: O=C1N(C)C2=C(C=NC(NC3=CC=CC(CO)=C3)=N2)C=C1C4=C(Cl)C=CC=C4Cl

안전 및 규제

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사10 곳

MedBio脉铂医药021-69568360 18916172912 · [email protected]

銳迪國際科技有限公司18024082417 · [email protected]

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

연결된 노트

불러오는 중…