3-((6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)benzoic acid

HCID 5327916
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기본 정보

CAS
185039-99-0
표준 SMILES
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(C(=O)O)c3)nc21
InChIKey
RBURTLAMOSHNGX-UHFFFAOYSA-N
분자식
C21H14Cl2N4O3
평균 분자량
441.3 g/mol
단동위원소 질량
440.04429567

이름 및 식별자

우선 이름
3-((6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)benzoic acid
IUPAC
3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzoic acid
영어명
PD173955
분자식
C21H14Cl2N4O3
분자량
441.27

이름 및 동의어

185039-99-03-((6-(2,6-dichlorophenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)benzoic acid3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzoic acidPD 173955 analog 13-((6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-yl)amino)benzoic acid3-[6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino]benzoic AcidPD 173955-Analog1C21H14Cl2N4O33-{[6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}benzoic acidMFCD170193352-aminopyrido[2,3-d]pyrimidin-7(8H)-one 70BDBM3103
이름 더 보기
PD173955-Analog 13-((6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-yl)amino)benzoi3-[[6-(2,6-Dichlorophenyl)-7,8-dihydro-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzoic acid3-[6-(2,6-Dichloro-phenyl)-8-Methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyriMidin-2-ylaMino]-benzoic acidBenzoic acid, 3-[[6-(2,6-dichlorophenyl)-7,8-dihydro-8-Methyl-7-oxopyrido[2,3-d]pyriMidin-2-yl]aMino]-
CHEMBL109631orb1737582SCHEMBL5764437RBURTLAMOSHNGX-UHFFFAOYSA-NDTXSID201382378KHA03999AKOS027420922NCGC00345830-01

데이터베이스 식별자

CAS
185039-99-0
PubChem CID
5327916
DTXSID
DTXSID201382378
ChEMBL
CHEMBL109631

물성

구조 계산 물성

XLogP
4.4
극성 표면적
95.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
30

물리화학적 성질

녹는점
300 ℃ · >300℃
끓는 점
676.2 · 676.2±65.0 °C(Predicted)
밀도
1.531 · 1.531
산도 계수 (pKa)
4.16 · 4.16±0.10(Predicted)

화학 및 산업

응용 분야

용도PD 173955-Analog1 is a potent c-Src inhibitor and is known to have activity against a variety of cancers including colon, lung, head and neck carcinoma.

공급사9 곳

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
信实生物医药（上海）有限公司+86-021-50720296 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]

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