기본 정보
- CAS
622864-54-4- 표준 SMILES
O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21- InChIKey
IAUZTOZLTFSMIE-UHFFFAOYSA-N- 분자식
- C20H12N2O3
- 평균 분자량
- 328.3 g/mol
- 단동위원소 질량
- 328.08479224
이름 및 식별자
- 우선 이름
- 9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
- IUPAC
- 9-hydroxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
- 영어명
- PD407824
- 분자식
- C20H12N2O3
- 분자량
- 328.32
이름 및 동의어
9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONEDTXSID404024839-Hydroxy-4-phenylpyrrolo(3,4-c)carbazole-1,3(2H,6H)-dione9-HYDROXY-4-PHENYL-6H-PYRROLO(3,4-C)CARBAZOLE-1,3-DIONE14-hydroxy-7-phenyl-4,10-diazatetracyclo(7.7.0.02,?.011,1?)hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione14-hydroxy-7-phenyl-4,10-diazatetracyclo[7.7.0.02,?.011,1?]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dioneRefChem:549397DTXCID70353338663-313-7622864-54-4PD 407824
이름 더 보기
PD 0407824PD-407824, ≥98% (HPLC)9-Hydroxy-4-phenyl-pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dionePyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, 9-hydroxy-4-phenyl-
PD-407824PD0407824CHEMBL214253PD407824IAUZTOZLTFSMIE-UHFFFAOYSA-Norb1706837SCHEMBL6516584SCHEMBL29414147
데이터베이스 식별자
- CAS
622864-54-4- PubChem CID
- 4369491
- DTXSID
DTXSID40402483- ChEMBL
CHEMBL214253- EC Number
- 663-313-7
- Nikkaji
- J3.353.322E
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 82.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 573
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 밀도
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 10 mg/mL · DMSO: >10mg/mL
- 산도 계수 (pKa)
- 9.02 · 9.02±0.20(Predicted)
- 물리적 상태
- 가루
- 색상
- 노란색에서 주황색으로
- InChI
- 1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
- InChIKey
- IAUZTOZLTFSMIE-UHFFFAOYSA-N
- SMILES
- Oc1ccc2[nH]c3cc(-c4ccccc4)c5C(=O)NC(=O)c5c3c2c1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요PD 407824 is an inhibitor of the checkpoint kinases Chk1 and WEE1 (IC50s = 47 and 97 nM, respectively). It is selective for Chk1 and WEE1 over PKC (IC50 = 3.4 μM), Cdk4 (IC50 = 3.75 μM), as well as c-Src and the PDGF and FGF receptors (IC50s = >50 μM for all), and other Cdks (IC50s = >50 μM). PD 407824 sensitizes SK-OV-3 and OVCAR-3 ovarian cancer cells, as well as cisplatin-resistant A2780cis cells, to cisplatin when used at a concentration of 0.5 μM. It also sensitizes C2C12 myoblasts to bone morphogenic protein 4 (BMP4) and, when used in combination with BMP4, inhibits myotube formation and induces myoblasts to differentiate into mature osteoblasts. PD 407824, in combination with BMP4, induces human embryonic stem cells to differentiate into cells with mesoderm or cytotrophoblast stem cell lineages.
용도PD-407824 is a Wee1/Chk1 inhibitor useful as cancer treatments.
공급사17 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
凯试(上海)科技有限公司021-50135380 · [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]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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