9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
Grundinformationen
- CAS
622864-54-4- Standard-SMILES
O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21- InChIKey
IAUZTOZLTFSMIE-UHFFFAOYSA-N- Summenformel
- C20H12N2O3
- Durchschnittliche Molmasse
- 328,3 g/mol
- Monoisotopische Masse
- 328,08479224
Namen und Bezeichner
- Bevorzugter Name
- 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
- Englischer Name
- PD407824
- Summenformel
- C20H12N2O3
- Molmasse
- 328.32
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
622864-54-4- PubChem CID
- 4369491
- DTXSID
DTXSID40402483- ChEMBL
CHEMBL214253- EC Number
- 663-313-7
- Nikkaji
- J3.353.322E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 82,2 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 573
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Dichte
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 10 mg/mL · DMSO: >10mg/mL
- pka
- 9.02 · 9.02±0.20(Predicted)
- Aggregatzustand
- powder
- Farbe
- yellow to orange
- 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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
BeschreibungPD 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.
VerwendenPD-407824 is a Wee1/Chk1 inhibitor useful as cancer treatments.
Anbieter17 Anbieter
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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